Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:54:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdPt3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 185 47 14 5943 765 127 Max 186 48 16 5946 778 128 Sum 6675 1713 523 213999 27777 4607 bravais-lattice index = 14 lattice parameter (alat) = 11.7965 a.u. unit-cell volume = 784.6975 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.796490 celldm(2)= 1.000000 celldm(3)= 0.506773 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.332064 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.332064 0.943257 0.000000 ) a(3) = ( 0.000000 0.000000 0.506773 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.352040 -0.000000 ) b(2) = ( 0.000000 1.060157 -0.000000 ) b(3) = ( 0.000000 0.000000 1.973268 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Pt 10.00 195.08400 Pt( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0113745 0.0160630 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0227489 0.0321260 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0341234 0.0481889 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0454978 0.0642519 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0568723 0.0803149 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0682468 0.0963779 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0796212 0.1124409 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0909957 0.1285038 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1023702 0.1445668 -0.0000000), wk = 0.0025000 k( 11) = ( 0.1137446 0.1606298 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1251191 0.1766928 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1364936 0.1927558 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1478680 0.2088187 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1592425 0.2248817 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1706169 0.2409447 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1819914 0.2570077 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1933659 0.2730707 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2047403 0.2891336 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2161148 0.3051966 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2274893 0.3212596 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2388637 0.3373226 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2502382 0.3533856 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2616127 0.3694486 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2729871 0.3855115 -0.0000000), wk = 0.0025000 k( 26) = ( 0.2843616 0.4015745 -0.0000000), wk = 0.0025000 k( 27) = ( 0.2957360 0.4176375 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3071105 0.4337005 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3184850 0.4497634 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3298594 0.4658264 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3412339 0.4818894 -0.0000000), wk = 0.0025000 k( 32) = ( 0.3526084 0.4979524 -0.0000000), wk = 0.0025000 k( 33) = ( 0.3639828 0.5140154 -0.0000000), wk = 0.0025000 k( 34) = ( 0.3753573 0.5300784 -0.0000000), wk = 0.0025000 k( 35) = ( 0.3753573 0.5300784 -0.0000000), wk = 0.0025000 k( 36) = ( 0.3556016 0.5300783 -0.0000000), wk = 0.0025000 k( 37) = ( 0.3358460 0.5300783 -0.0000000), wk = 0.0025000 k( 38) = ( 0.3160903 0.5300784 -0.0000000), wk = 0.0025000 k( 39) = ( 0.2963347 0.5300783 -0.0000000), wk = 0.0025000 k( 40) = ( 0.2765790 0.5300783 -0.0000000), wk = 0.0025000 k( 41) = ( 0.2568234 0.5300784 -0.0000000), wk = 0.0025000 k( 42) = ( 0.2370677 0.5300783 -0.0000000), wk = 0.0025000 k( 43) = ( 0.2173121 0.5300783 -0.0000000), wk = 0.0025000 k( 44) = ( 0.1975565 0.5300784 -0.0000000), wk = 0.0025000 k( 45) = ( 0.1778008 0.5300784 -0.0000000), wk = 0.0025000 k( 46) = ( 0.1580452 0.5300783 -0.0000000), wk = 0.0025000 k( 47) = ( 0.1382895 0.5300784 -0.0000000), wk = 0.0025000 k( 48) = ( 0.1185339 0.5300784 -0.0000000), wk = 0.0025000 k( 49) = ( 0.0987782 0.5300783 -0.0000000), wk = 0.0025000 k( 50) = ( 0.0790226 0.5300784 -0.0000000), wk = 0.0025000 k( 51) = ( 0.0592669 0.5300784 -0.0000000), wk = 0.0025000 k( 52) = ( 0.0395113 0.5300783 -0.0000000), wk = 0.0025000 k( 53) = ( 0.0197556 0.5300784 -0.0000000), wk = 0.0025000 k( 54) = ( 0.0000000 0.5300784 -0.0000000), wk = 0.0025000 k( 55) = ( 0.0000000 0.5300784 -0.0000000), wk = 0.0025000 k( 56) = ( 0.0000000 0.5300784 0.0197327), wk = 0.0025000 k( 57) = ( 0.0000000 0.5300784 0.0394654), wk = 0.0025000 k( 58) = ( 0.0000000 0.5300784 0.0591980), wk = 0.0025000 k( 59) = ( 0.0000000 0.5300784 0.0789307), wk = 0.0025000 k( 60) = ( 0.0000000 0.5300784 0.0986634), wk = 0.0025000 k( 61) = ( 0.0000000 0.5300784 0.1183961), wk = 0.0025000 k( 62) = ( 0.0000000 0.5300784 0.1381288), wk = 0.0025000 k( 63) = ( 0.0000000 0.5300784 0.1578615), wk = 0.0025000 k( 64) = ( 0.0000000 0.5300784 0.1775941), wk = 0.0025000 k( 65) = ( 0.0000000 0.5300784 0.1973268), wk = 0.0025000 k( 66) = ( 0.0000000 0.5300784 0.2170595), wk = 0.0025000 k( 67) = ( 0.0000000 0.5300784 0.2367922), wk = 0.0025000 k( 68) = ( 0.0000000 0.5300784 0.2565249), wk = 0.0025000 k( 69) = ( 0.0000000 0.5300784 0.2762576), wk = 0.0025000 k( 70) = ( 0.0000000 0.5300784 0.2959902), wk = 0.0025000 k( 71) = ( 0.0000000 0.5300784 0.3157229), wk = 0.0025000 k( 72) = ( 0.0000000 0.5300784 0.3354556), wk = 0.0025000 k( 73) = ( 0.0000000 0.5300784 0.3551883), wk = 0.0025000 k( 74) = ( 0.0000000 0.5300784 0.3749210), wk = 0.0025000 k( 75) = ( 0.0000000 0.5300784 0.3946537), wk = 0.0025000 k( 76) = ( 0.0000000 0.5300784 0.4143863), wk = 0.0025000 k( 77) = ( 0.0000000 0.5300784 0.4341190), wk = 0.0025000 k( 78) = ( 0.0000000 0.5300784 0.4538517), wk = 0.0025000 k( 79) = ( 0.0000000 0.5300784 0.4735844), wk = 0.0025000 k( 80) = ( 0.0000000 0.5300784 0.4933171), wk = 0.0025000 k( 81) = ( 0.0000000 0.5300784 0.5130498), wk = 0.0025000 k( 82) = ( 0.0000000 0.5300784 0.5327824), wk = 0.0025000 k( 83) = ( 0.0000000 0.5300784 0.5525151), wk = 0.0025000 k( 84) = ( 0.0000000 0.5300784 0.5722478), wk = 0.0025000 k( 85) = ( 0.0000000 0.5300784 0.5919805), wk = 0.0025000 k( 86) = ( 0.0000000 0.5300784 0.6117132), wk = 0.0025000 k( 87) = ( 0.0000000 0.5300784 0.6314459), wk = 0.0025000 k( 88) = ( 0.0000000 0.5300784 0.6511785), wk = 0.0025000 k( 89) = ( 0.0000000 0.5300784 0.6709112), wk = 0.0025000 k( 90) = ( 0.0000000 0.5300784 0.6906439), wk = 0.0025000 k( 91) = ( 0.0000000 0.5300784 0.7103766), wk = 0.0025000 k( 92) = ( 0.0000000 0.5300784 0.7301093), wk = 0.0025000 k( 93) = ( 0.0000000 0.5300784 0.7498420), wk = 0.0025000 k( 94) = ( 0.0000000 0.5300784 0.7695746), wk = 0.0025000 k( 95) = ( 0.0000000 0.5300784 0.7893073), wk = 0.0025000 k( 96) = ( 0.0000000 0.5300784 0.8090400), wk = 0.0025000 k( 97) = ( 0.0000000 0.5300784 0.8287727), wk = 0.0025000 k( 98) = ( 0.0000000 0.5300784 0.8485054), wk = 0.0025000 k( 99) = ( 0.0000000 0.5300784 0.8682381), wk = 0.0025000 k( 100) = ( 0.0000000 0.5300784 0.8879707), wk = 0.0025000 k( 101) = ( 0.0000000 0.5300784 0.9077034), wk = 0.0025000 k( 102) = ( 0.0000000 0.5300784 0.9274361), wk = 0.0025000 k( 103) = ( 0.0000000 0.5300784 0.9471688), wk = 0.0025000 k( 104) = ( 0.0000000 0.5300784 0.9669015), wk = 0.0025000 k( 105) = ( 0.0000000 0.5300784 0.9866342), wk = 0.0025000 k( 106) = ( 0.0000000 0.5300784 0.9866342), wk = 0.0025000 k( 107) = ( 0.0197556 0.5300784 0.9866342), wk = 0.0025000 k( 108) = ( 0.0395113 0.5300783 0.9866342), wk = 0.0025000 k( 109) = ( 0.0592669 0.5300784 0.9866342), wk = 0.0025000 k( 110) = ( 0.0790226 0.5300784 0.9866342), wk = 0.0025000 k( 111) = ( 0.0987782 0.5300783 0.9866342), wk = 0.0025000 k( 112) = ( 0.1185339 0.5300784 0.9866342), wk = 0.0025000 k( 113) = ( 0.1382895 0.5300784 0.9866342), wk = 0.0025000 k( 114) = ( 0.1580452 0.5300783 0.9866342), wk = 0.0025000 k( 115) = ( 0.1778008 0.5300784 0.9866342), wk = 0.0025000 k( 116) = ( 0.1975565 0.5300784 0.9866342), wk = 0.0025000 k( 117) = ( 0.2173121 0.5300783 0.9866342), wk = 0.0025000 k( 118) = ( 0.2370677 0.5300783 0.9866342), wk = 0.0025000 k( 119) = ( 0.2568234 0.5300784 0.9866342), wk = 0.0025000 k( 120) = ( 0.2765790 0.5300783 0.9866342), wk = 0.0025000 k( 121) = ( 0.2963347 0.5300783 0.9866342), wk = 0.0025000 k( 122) = ( 0.3160903 0.5300784 0.9866342), wk = 0.0025000 k( 123) = ( 0.3358460 0.5300783 0.9866342), wk = 0.0025000 k( 124) = ( 0.3556016 0.5300783 0.9866342), wk = 0.0025000 k( 125) = ( 0.3753573 0.5300784 0.9866342), wk = 0.0025000 k( 126) = ( 0.3753573 0.5300784 0.9866342), wk = 0.0025000 k( 127) = ( 0.3639828 0.5140154 0.9866342), wk = 0.0025000 k( 128) = ( 0.3526084 0.4979524 0.9866342), wk = 0.0025000 k( 129) = ( 0.3412339 0.4818894 0.9866342), wk = 0.0025000 k( 130) = ( 0.3298594 0.4658264 0.9866342), wk = 0.0025000 k( 131) = ( 0.3184850 0.4497634 0.9866342), wk = 0.0025000 k( 132) = ( 0.3071105 0.4337005 0.9866342), wk = 0.0025000 k( 133) = ( 0.2957360 0.4176375 0.9866342), wk = 0.0025000 k( 134) = ( 0.2843616 0.4015745 0.9866342), wk = 0.0025000 k( 135) = ( 0.2729871 0.3855115 0.9866342), wk = 0.0025000 k( 136) = ( 0.2616127 0.3694486 0.9866342), wk = 0.0025000 k( 137) = ( 0.2502382 0.3533856 0.9866342), wk = 0.0025000 k( 138) = ( 0.2388637 0.3373226 0.9866342), wk = 0.0025000 k( 139) = ( 0.2274893 0.3212596 0.9866342), wk = 0.0025000 k( 140) = ( 0.2161148 0.3051966 0.9866342), wk = 0.0025000 k( 141) = ( 0.2047403 0.2891336 0.9866342), wk = 0.0025000 k( 142) = ( 0.1933659 0.2730707 0.9866342), wk = 0.0025000 k( 143) = ( 0.1819914 0.2570077 0.9866342), wk = 0.0025000 k( 144) = ( 0.1706169 0.2409447 0.9866342), wk = 0.0025000 k( 145) = ( 0.1592425 0.2248817 0.9866342), wk = 0.0025000 k( 146) = ( 0.1478680 0.2088187 0.9866342), wk = 0.0025000 k( 147) = ( 0.1364936 0.1927558 0.9866342), wk = 0.0025000 k( 148) = ( 0.1251191 0.1766928 0.9866342), wk = 0.0025000 k( 149) = ( 0.1137446 0.1606298 0.9866342), wk = 0.0025000 k( 150) = ( 0.1023702 0.1445668 0.9866342), wk = 0.0025000 k( 151) = ( 0.0909957 0.1285038 0.9866342), wk = 0.0025000 k( 152) = ( 0.0796212 0.1124409 0.9866342), wk = 0.0025000 k( 153) = ( 0.0682468 0.0963779 0.9866342), wk = 0.0025000 k( 154) = ( 0.0568723 0.0803149 0.9866342), wk = 0.0025000 k( 155) = ( 0.0454978 0.0642519 0.9866342), wk = 0.0025000 k( 156) = ( 0.0341234 0.0481889 0.9866342), wk = 0.0025000 k( 157) = ( 0.0227489 0.0321260 0.9866342), wk = 0.0025000 k( 158) = ( 0.0113745 0.0160630 0.9866342), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.9866342), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.9866342), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.9669015), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.9471688), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.9274361), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.9077034), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.8879707), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.8682381), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.8485054), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.8287727), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.8090400), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.7893073), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.7695746), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.7498420), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.7301093), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.7103766), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.6906439), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.6709112), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.6511785), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.6314459), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.6117132), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.5919805), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.5722478), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.5525151), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.5327824), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.5130498), wk = 0.0025000 k( 185) = ( 0.0000000 0.0000000 0.4933171), wk = 0.0025000 k( 186) = ( 0.0000000 0.0000000 0.4735844), wk = 0.0025000 k( 187) = ( 0.0000000 0.0000000 0.4538517), wk = 0.0025000 k( 188) = ( 0.0000000 0.0000000 0.4341190), wk = 0.0025000 k( 189) = ( 0.0000000 0.0000000 0.4143863), wk = 0.0025000 k( 190) = ( 0.0000000 0.0000000 0.3946537), wk = 0.0025000 k( 191) = ( 0.0000000 0.0000000 0.3749210), wk = 0.0025000 k( 192) = ( 0.0000000 0.0000000 0.3551883), wk = 0.0025000 k( 193) = ( 0.0000000 0.0000000 0.3354556), wk = 0.0025000 k( 194) = ( 0.0000000 0.0000000 0.3157229), wk = 0.0025000 k( 195) = ( 0.0000000 0.0000000 0.2959902), wk = 0.0025000 k( 196) = ( 0.0000000 0.0000000 0.2762576), wk = 0.0025000 k( 197) = ( 0.0000000 0.0000000 0.2565249), wk = 0.0025000 k( 198) = ( 0.0000000 0.0000000 0.2367922), wk = 0.0025000 k( 199) = ( 0.0000000 0.0000000 0.2170595), wk = 0.0025000 k( 200) = ( 0.0000000 0.0000000 0.1973268), wk = 0.0025000 k( 201) = ( 0.0000000 0.0000000 0.1775941), wk = 0.0025000 k( 202) = ( 0.0000000 0.0000000 0.1578615), wk = 0.0025000 k( 203) = ( 0.0000000 0.0000000 0.1381288), wk = 0.0025000 k( 204) = ( 0.0000000 0.0000000 0.1183961), wk = 0.0025000 k( 205) = ( 0.0000000 0.0000000 0.0986634), wk = 0.0025000 k( 206) = ( 0.0000000 0.0000000 0.0789307), wk = 0.0025000 k( 207) = ( 0.0000000 0.0000000 0.0591980), wk = 0.0025000 k( 208) = ( 0.0000000 0.0000000 0.0394654), wk = 0.0025000 k( 209) = ( 0.0000000 0.0000000 0.0197327), wk = 0.0025000 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 212) = ( -0.0161290 0.0114212 0.0000000), wk = 0.0025000 k( 213) = ( -0.0322581 0.0228425 0.0000000), wk = 0.0025000 k( 214) = ( -0.0483871 0.0342637 0.0000000), wk = 0.0025000 k( 215) = ( -0.0645161 0.0456849 0.0000000), wk = 0.0025000 k( 216) = ( -0.0806452 0.0571062 0.0000000), wk = 0.0025000 k( 217) = ( -0.0967742 0.0685274 0.0000000), wk = 0.0025000 k( 218) = ( -0.1129032 0.0799487 0.0000000), wk = 0.0025000 k( 219) = ( -0.1290323 0.0913699 0.0000000), wk = 0.0025000 k( 220) = ( -0.1451613 0.1027911 0.0000000), wk = 0.0025000 k( 221) = ( -0.1612903 0.1142124 0.0000000), wk = 0.0025000 k( 222) = ( -0.1774194 0.1256336 0.0000000), wk = 0.0025000 k( 223) = ( -0.1935484 0.1370548 0.0000000), wk = 0.0025000 k( 224) = ( -0.2096774 0.1484761 0.0000000), wk = 0.0025000 k( 225) = ( -0.2258064 0.1598973 0.0000000), wk = 0.0025000 k( 226) = ( -0.2419355 0.1713185 0.0000000), wk = 0.0025000 k( 227) = ( -0.2580645 0.1827398 0.0000000), wk = 0.0025000 k( 228) = ( -0.2741936 0.1941610 0.0000000), wk = 0.0025000 k( 229) = ( -0.2903226 0.2055822 0.0000000), wk = 0.0025000 k( 230) = ( -0.3064516 0.2170035 0.0000000), wk = 0.0025000 k( 231) = ( -0.3225807 0.2284247 0.0000000), wk = 0.0025000 k( 232) = ( -0.3387097 0.2398459 0.0000000), wk = 0.0025000 k( 233) = ( -0.3548387 0.2512672 0.0000000), wk = 0.0025000 k( 234) = ( -0.3709677 0.2626884 0.0000000), wk = 0.0025000 k( 235) = ( -0.3870968 0.2741096 0.0000000), wk = 0.0025000 k( 236) = ( -0.4032258 0.2855309 0.0000000), wk = 0.0025000 k( 237) = ( -0.4193548 0.2969521 0.0000000), wk = 0.0025000 k( 238) = ( -0.4354839 0.3083734 0.0000000), wk = 0.0025000 k( 239) = ( -0.4516129 0.3197946 0.0000000), wk = 0.0025000 k( 240) = ( -0.4677419 0.3312158 0.0000000), wk = 0.0025000 k( 241) = ( -0.4838710 0.3426371 0.0000000), wk = 0.0025000 k( 242) = ( -0.5000000 0.3540583 0.0000000), wk = 0.0025000 k( 243) = ( -0.5000000 0.3540583 0.0000000), wk = 0.0025000 k( 244) = ( -0.4886688 0.3700601 -0.0000000), wk = 0.0025000 k( 245) = ( -0.4773377 0.3860619 -0.0000000), wk = 0.0025000 k( 246) = ( -0.4660065 0.4020638 -0.0000000), wk = 0.0025000 k( 247) = ( -0.4546754 0.4180656 -0.0000000), wk = 0.0025000 k( 248) = ( -0.4433442 0.4340674 -0.0000000), wk = 0.0025000 k( 249) = ( -0.4320131 0.4500692 -0.0000000), wk = 0.0025000 k( 250) = ( -0.4206819 0.4660711 -0.0000000), wk = 0.0025000 k( 251) = ( -0.4093507 0.4820729 -0.0000000), wk = 0.0025000 k( 252) = ( -0.3980196 0.4980747 -0.0000000), wk = 0.0025000 k( 253) = ( -0.3866884 0.5140765 -0.0000000), wk = 0.0025000 k( 254) = ( -0.3753573 0.5300784 -0.0000000), wk = 0.0025000 k( 255) = ( -0.3753573 0.5300784 -0.0000000), wk = 0.0025000 k( 256) = ( -0.3753573 0.5300784 0.0197327), wk = 0.0025000 k( 257) = ( -0.3753573 0.5300784 0.0394654), wk = 0.0025000 k( 258) = ( -0.3753573 0.5300784 0.0591980), wk = 0.0025000 k( 259) = ( -0.3753573 0.5300784 0.0789307), wk = 0.0025000 k( 260) = ( -0.3753573 0.5300784 0.0986634), wk = 0.0025000 k( 261) = ( -0.3753573 0.5300784 0.1183961), wk = 0.0025000 k( 262) = ( -0.3753573 0.5300784 0.1381288), wk = 0.0025000 k( 263) = ( -0.3753573 0.5300784 0.1578615), wk = 0.0025000 k( 264) = ( -0.3753573 0.5300784 0.1775941), wk = 0.0025000 k( 265) = ( -0.3753573 0.5300784 0.1973268), wk = 0.0025000 k( 266) = ( -0.3753573 0.5300784 0.2170595), wk = 0.0025000 k( 267) = ( -0.3753573 0.5300784 0.2367922), wk = 0.0025000 k( 268) = ( -0.3753573 0.5300784 0.2565249), wk = 0.0025000 k( 269) = ( -0.3753573 0.5300784 0.2762576), wk = 0.0025000 k( 270) = ( -0.3753573 0.5300784 0.2959902), wk = 0.0025000 k( 271) = ( -0.3753573 0.5300784 0.3157229), wk = 0.0025000 k( 272) = ( -0.3753573 0.5300784 0.3354556), wk = 0.0025000 k( 273) = ( -0.3753573 0.5300784 0.3551883), wk = 0.0025000 k( 274) = ( -0.3753573 0.5300784 0.3749210), wk = 0.0025000 k( 275) = ( -0.3753573 0.5300784 0.3946537), wk = 0.0025000 k( 276) = ( -0.3753573 0.5300784 0.4143863), wk = 0.0025000 k( 277) = ( -0.3753573 0.5300784 0.4341190), wk = 0.0025000 k( 278) = ( -0.3753573 0.5300784 0.4538517), wk = 0.0025000 k( 279) = ( -0.3753573 0.5300784 0.4735844), wk = 0.0025000 k( 280) = ( -0.3753573 0.5300784 0.4933171), wk = 0.0025000 k( 281) = ( -0.3753573 0.5300784 0.5130498), wk = 0.0025000 k( 282) = ( -0.3753573 0.5300784 0.5327824), wk = 0.0025000 k( 283) = ( -0.3753573 0.5300784 0.5525151), wk = 0.0025000 k( 284) = ( -0.3753573 0.5300784 0.5722478), wk = 0.0025000 k( 285) = ( -0.3753573 0.5300784 0.5919805), wk = 0.0025000 k( 286) = ( -0.3753573 0.5300784 0.6117132), wk = 0.0025000 k( 287) = ( -0.3753573 0.5300784 0.6314459), wk = 0.0025000 k( 288) = ( -0.3753573 0.5300784 0.6511785), wk = 0.0025000 k( 289) = ( -0.3753573 0.5300784 0.6709112), wk = 0.0025000 k( 290) = ( -0.3753573 0.5300784 0.6906439), wk = 0.0025000 k( 291) = ( -0.3753573 0.5300784 0.7103766), wk = 0.0025000 k( 292) = ( -0.3753573 0.5300784 0.7301093), wk = 0.0025000 k( 293) = ( -0.3753573 0.5300784 0.7498420), wk = 0.0025000 k( 294) = ( -0.3753573 0.5300784 0.7695746), wk = 0.0025000 k( 295) = ( -0.3753573 0.5300784 0.7893073), wk = 0.0025000 k( 296) = ( -0.3753573 0.5300784 0.8090400), wk = 0.0025000 k( 297) = ( -0.3753573 0.5300784 0.8287727), wk = 0.0025000 k( 298) = ( -0.3753573 0.5300784 0.8485054), wk = 0.0025000 k( 299) = ( -0.3753573 0.5300784 0.8682381), wk = 0.0025000 k( 300) = ( -0.3753573 0.5300784 0.8879707), wk = 0.0025000 k( 301) = ( -0.3753573 0.5300784 0.9077034), wk = 0.0025000 k( 302) = ( -0.3753573 0.5300784 0.9274361), wk = 0.0025000 k( 303) = ( -0.3753573 0.5300784 0.9471688), wk = 0.0025000 k( 304) = ( -0.3753573 0.5300784 0.9669015), wk = 0.0025000 k( 305) = ( -0.3753573 0.5300784 0.9866342), wk = 0.0025000 k( 306) = ( -0.3753573 0.5300784 0.9866342), wk = 0.0025000 k( 307) = ( -0.3866884 0.5140765 0.9866342), wk = 0.0025000 k( 308) = ( -0.3980196 0.4980747 0.9866342), wk = 0.0025000 k( 309) = ( -0.4093507 0.4820729 0.9866342), wk = 0.0025000 k( 310) = ( -0.4206819 0.4660711 0.9866342), wk = 0.0025000 k( 311) = ( -0.4320131 0.4500692 0.9866342), wk = 0.0025000 k( 312) = ( -0.4433442 0.4340674 0.9866342), wk = 0.0025000 k( 313) = ( -0.4546754 0.4180656 0.9866342), wk = 0.0025000 k( 314) = ( -0.4660065 0.4020638 0.9866342), wk = 0.0025000 k( 315) = ( -0.4773377 0.3860619 0.9866342), wk = 0.0025000 k( 316) = ( -0.4886688 0.3700601 0.9866342), wk = 0.0025000 k( 317) = ( -0.5000000 0.3540583 0.9866342), wk = 0.0025000 k( 318) = ( -0.5000000 0.3540583 0.9866342), wk = 0.0025000 k( 319) = ( -0.5000000 0.3540583 0.9669015), wk = 0.0025000 k( 320) = ( -0.5000000 0.3540583 0.9471688), wk = 0.0025000 k( 321) = ( -0.5000000 0.3540583 0.9274361), wk = 0.0025000 k( 322) = ( -0.5000000 0.3540583 0.9077034), wk = 0.0025000 k( 323) = ( -0.5000000 0.3540583 0.8879707), wk = 0.0025000 k( 324) = ( -0.5000000 0.3540583 0.8682381), wk = 0.0025000 k( 325) = ( -0.5000000 0.3540583 0.8485054), wk = 0.0025000 k( 326) = ( -0.5000000 0.3540583 0.8287727), wk = 0.0025000 k( 327) = ( -0.5000000 0.3540583 0.8090400), wk = 0.0025000 k( 328) = ( -0.5000000 0.3540583 0.7893073), wk = 0.0025000 k( 329) = ( -0.5000000 0.3540583 0.7695746), wk = 0.0025000 k( 330) = ( -0.5000000 0.3540583 0.7498420), wk = 0.0025000 k( 331) = ( -0.5000000 0.3540583 0.7301093), wk = 0.0025000 k( 332) = ( -0.5000000 0.3540583 0.7103766), wk = 0.0025000 k( 333) = ( -0.5000000 0.3540583 0.6906439), wk = 0.0025000 k( 334) = ( -0.5000000 0.3540583 0.6709112), wk = 0.0025000 k( 335) = ( -0.5000000 0.3540583 0.6511785), wk = 0.0025000 k( 336) = ( -0.5000000 0.3540583 0.6314459), wk = 0.0025000 k( 337) = ( -0.5000000 0.3540583 0.6117132), wk = 0.0025000 k( 338) = ( -0.5000000 0.3540583 0.5919805), wk = 0.0025000 k( 339) = ( -0.5000000 0.3540583 0.5722478), wk = 0.0025000 k( 340) = ( -0.5000000 0.3540583 0.5525151), wk = 0.0025000 k( 341) = ( -0.5000000 0.3540583 0.5327824), wk = 0.0025000 k( 342) = ( -0.5000000 0.3540583 0.5130498), wk = 0.0025000 k( 343) = ( -0.5000000 0.3540583 0.4933171), wk = 0.0025000 k( 344) = ( -0.5000000 0.3540583 0.4735844), wk = 0.0025000 k( 345) = ( -0.5000000 0.3540583 0.4538517), wk = 0.0025000 k( 346) = ( -0.5000000 0.3540583 0.4341190), wk = 0.0025000 k( 347) = ( -0.5000000 0.3540583 0.4143863), wk = 0.0025000 k( 348) = ( -0.5000000 0.3540583 0.3946537), wk = 0.0025000 k( 349) = ( -0.5000000 0.3540583 0.3749210), wk = 0.0025000 k( 350) = ( -0.5000000 0.3540583 0.3551883), wk = 0.0025000 k( 351) = ( -0.5000000 0.3540583 0.3354556), wk = 0.0025000 k( 352) = ( -0.5000000 0.3540583 0.3157229), wk = 0.0025000 k( 353) = ( -0.5000000 0.3540583 0.2959902), wk = 0.0025000 k( 354) = ( -0.5000000 0.3540583 0.2762576), wk = 0.0025000 k( 355) = ( -0.5000000 0.3540583 0.2565249), wk = 0.0025000 k( 356) = ( -0.5000000 0.3540583 0.2367922), wk = 0.0025000 k( 357) = ( -0.5000000 0.3540583 0.2170595), wk = 0.0025000 k( 358) = ( -0.5000000 0.3540583 0.1973268), wk = 0.0025000 k( 359) = ( -0.5000000 0.3540583 0.1775941), wk = 0.0025000 k( 360) = ( -0.5000000 0.3540583 0.1578615), wk = 0.0025000 k( 361) = ( -0.5000000 0.3540583 0.1381288), wk = 0.0025000 k( 362) = ( -0.5000000 0.3540583 0.1183961), wk = 0.0025000 k( 363) = ( -0.5000000 0.3540583 0.0986634), wk = 0.0025000 k( 364) = ( -0.5000000 0.3540583 0.0789307), wk = 0.0025000 k( 365) = ( -0.5000000 0.3540583 0.0591980), wk = 0.0025000 k( 366) = ( -0.5000000 0.3540583 0.0394654), wk = 0.0025000 k( 367) = ( -0.5000000 0.3540583 0.0197327), wk = 0.0025000 k( 368) = ( -0.5000000 0.3540583 0.0000000), wk = 0.0025000 k( 369) = ( 0.0000000 0.0000000 0.9866342), wk = 0.0025000 k( 370) = ( -0.0161290 0.0114212 0.9866342), wk = 0.0025000 k( 371) = ( -0.0322581 0.0228425 0.9866342), wk = 0.0025000 k( 372) = ( -0.0483871 0.0342637 0.9866342), wk = 0.0025000 k( 373) = ( -0.0645161 0.0456849 0.9866342), wk = 0.0025000 k( 374) = ( -0.0806452 0.0571062 0.9866342), wk = 0.0025000 k( 375) = ( -0.0967742 0.0685274 0.9866342), wk = 0.0025000 k( 376) = ( -0.1129032 0.0799487 0.9866342), wk = 0.0025000 k( 377) = ( -0.1290323 0.0913699 0.9866342), wk = 0.0025000 k( 378) = ( -0.1451613 0.1027911 0.9866342), wk = 0.0025000 k( 379) = ( -0.1612903 0.1142124 0.9866342), wk = 0.0025000 k( 380) = ( -0.1774194 0.1256336 0.9866342), wk = 0.0025000 k( 381) = ( -0.1935484 0.1370548 0.9866342), wk = 0.0025000 k( 382) = ( -0.2096774 0.1484761 0.9866342), wk = 0.0025000 k( 383) = ( -0.2258064 0.1598973 0.9866342), wk = 0.0025000 k( 384) = ( -0.2419355 0.1713185 0.9866342), wk = 0.0025000 k( 385) = ( -0.2580645 0.1827398 0.9866342), wk = 0.0025000 k( 386) = ( -0.2741936 0.1941610 0.9866342), wk = 0.0025000 k( 387) = ( -0.2903226 0.2055822 0.9866342), wk = 0.0025000 k( 388) = ( -0.3064516 0.2170035 0.9866342), wk = 0.0025000 k( 389) = ( -0.3225807 0.2284247 0.9866342), wk = 0.0025000 k( 390) = ( -0.3387097 0.2398459 0.9866342), wk = 0.0025000 k( 391) = ( -0.3548387 0.2512672 0.9866342), wk = 0.0025000 k( 392) = ( -0.3709677 0.2626884 0.9866342), wk = 0.0025000 k( 393) = ( -0.3870968 0.2741096 0.9866342), wk = 0.0025000 k( 394) = ( -0.4032258 0.2855309 0.9866342), wk = 0.0025000 k( 395) = ( -0.4193548 0.2969521 0.9866342), wk = 0.0025000 k( 396) = ( -0.4354839 0.3083734 0.9866342), wk = 0.0025000 k( 397) = ( -0.4516129 0.3197946 0.9866342), wk = 0.0025000 k( 398) = ( -0.4677419 0.3312158 0.9866342), wk = 0.0025000 k( 399) = ( -0.4838710 0.3426371 0.9866342), wk = 0.0025000 k( 400) = ( -0.5000000 0.3540583 0.9866342), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0113745 0.0113745 0.0000000), wk = 0.0025000 k( 3) = ( 0.0227489 0.0227489 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0341234 0.0341234 0.0000000), wk = 0.0025000 k( 5) = ( 0.0454978 0.0454978 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0568723 0.0568723 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0682468 0.0682468 0.0000000), wk = 0.0025000 k( 8) = ( 0.0796212 0.0796212 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0909957 0.0909957 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1023702 0.1023702 -0.0000000), wk = 0.0025000 k( 11) = ( 0.1137446 0.1137446 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1251191 0.1251191 0.0000000), wk = 0.0025000 k( 13) = ( 0.1364936 0.1364936 0.0000000), wk = 0.0025000 k( 14) = ( 0.1478680 0.1478680 0.0000000), wk = 0.0025000 k( 15) = ( 0.1592425 0.1592425 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1706169 0.1706169 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1819914 0.1819914 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1933659 0.1933659 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2047403 0.2047403 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2161148 0.2161148 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2274893 0.2274893 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2388637 0.2388637 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2502382 0.2502382 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2616127 0.2616127 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2729871 0.2729871 -0.0000000), wk = 0.0025000 k( 26) = ( 0.2843616 0.2843616 -0.0000000), wk = 0.0025000 k( 27) = ( 0.2957360 0.2957360 0.0000000), wk = 0.0025000 k( 28) = ( 0.3071105 0.3071105 0.0000000), wk = 0.0025000 k( 29) = ( 0.3184850 0.3184850 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3298594 0.3298594 0.0000000), wk = 0.0025000 k( 31) = ( 0.3412339 0.3412339 0.0000000), wk = 0.0025000 k( 32) = ( 0.3526084 0.3526083 0.0000000), wk = 0.0025000 k( 33) = ( 0.3639828 0.3639828 -0.0000000), wk = 0.0025000 k( 34) = ( 0.3753573 0.3753573 -0.0000000), wk = 0.0025000 k( 35) = ( 0.3753573 0.3753573 -0.0000000), wk = 0.0025000 k( 36) = ( 0.3556016 0.3819174 -0.0000000), wk = 0.0025000 k( 37) = ( 0.3358460 0.3884776 -0.0000000), wk = 0.0025000 k( 38) = ( 0.3160903 0.3950377 -0.0000000), wk = 0.0025000 k( 39) = ( 0.2963347 0.4015978 0.0000000), wk = 0.0025000 k( 40) = ( 0.2765790 0.4081580 -0.0000000), wk = 0.0025000 k( 41) = ( 0.2568234 0.4147181 -0.0000000), wk = 0.0025000 k( 42) = ( 0.2370677 0.4212783 0.0000000), wk = 0.0025000 k( 43) = ( 0.2173121 0.4278384 -0.0000000), wk = 0.0025000 k( 44) = ( 0.1975565 0.4343986 -0.0000000), wk = 0.0025000 k( 45) = ( 0.1778008 0.4409587 -0.0000000), wk = 0.0025000 k( 46) = ( 0.1580452 0.4475188 0.0000000), wk = 0.0025000 k( 47) = ( 0.1382895 0.4540790 -0.0000000), wk = 0.0025000 k( 48) = ( 0.1185339 0.4606391 0.0000000), wk = 0.0025000 k( 49) = ( 0.0987782 0.4671993 0.0000000), wk = 0.0025000 k( 50) = ( 0.0790226 0.4737594 0.0000000), wk = 0.0025000 k( 51) = ( 0.0592669 0.4803196 -0.0000000), wk = 0.0025000 k( 52) = ( 0.0395113 0.4868797 0.0000000), wk = 0.0025000 k( 53) = ( 0.0197556 0.4934399 0.0000000), wk = 0.0025000 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025000 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025000 k( 56) = ( 0.0000000 0.5000000 0.0100000), wk = 0.0025000 k( 57) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0025000 k( 58) = ( 0.0000000 0.5000000 0.0300000), wk = 0.0025000 k( 59) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0025000 k( 60) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0025000 k( 61) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0025000 k( 62) = ( 0.0000000 0.5000000 0.0700000), wk = 0.0025000 k( 63) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0025000 k( 64) = ( 0.0000000 0.5000000 0.0900000), wk = 0.0025000 k( 65) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0025000 k( 66) = ( 0.0000000 0.5000000 0.1100000), wk = 0.0025000 k( 67) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0025000 k( 68) = ( 0.0000000 0.5000000 0.1300000), wk = 0.0025000 k( 69) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0025000 k( 70) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0025000 k( 71) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0025000 k( 72) = ( 0.0000000 0.5000000 0.1700000), wk = 0.0025000 k( 73) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0025000 k( 74) = ( 0.0000000 0.5000000 0.1900000), wk = 0.0025000 k( 75) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0025000 k( 76) = ( 0.0000000 0.5000000 0.2100000), wk = 0.0025000 k( 77) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0025000 k( 78) = ( 0.0000000 0.5000000 0.2300000), wk = 0.0025000 k( 79) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0025000 k( 80) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025000 k( 81) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0025000 k( 82) = ( 0.0000000 0.5000000 0.2700000), wk = 0.0025000 k( 83) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0025000 k( 84) = ( 0.0000000 0.5000000 0.2900000), wk = 0.0025000 k( 85) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0025000 k( 86) = ( 0.0000000 0.5000000 0.3100000), wk = 0.0025000 k( 87) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0025000 k( 88) = ( 0.0000000 0.5000000 0.3300000), wk = 0.0025000 k( 89) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0025000 k( 90) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0025000 k( 91) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0025000 k( 92) = ( 0.0000000 0.5000000 0.3700000), wk = 0.0025000 k( 93) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0025000 k( 94) = ( 0.0000000 0.5000000 0.3900000), wk = 0.0025000 k( 95) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0025000 k( 96) = ( 0.0000000 0.5000000 0.4100000), wk = 0.0025000 k( 97) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0025000 k( 98) = ( 0.0000000 0.5000000 0.4300000), wk = 0.0025000 k( 99) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0025000 k( 100) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0025000 k( 101) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0025000 k( 102) = ( 0.0000000 0.5000000 0.4700000), wk = 0.0025000 k( 103) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0025000 k( 104) = ( 0.0000000 0.5000000 0.4900000), wk = 0.0025000 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 106) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 107) = ( 0.0197556 0.4934399 0.5000000), wk = 0.0025000 k( 108) = ( 0.0395113 0.4868797 0.5000000), wk = 0.0025000 k( 109) = ( 0.0592669 0.4803196 0.5000000), wk = 0.0025000 k( 110) = ( 0.0790226 0.4737594 0.5000000), wk = 0.0025000 k( 111) = ( 0.0987782 0.4671993 0.5000000), wk = 0.0025000 k( 112) = ( 0.1185339 0.4606391 0.5000000), wk = 0.0025000 k( 113) = ( 0.1382895 0.4540790 0.5000000), wk = 0.0025000 k( 114) = ( 0.1580452 0.4475188 0.5000000), wk = 0.0025000 k( 115) = ( 0.1778008 0.4409587 0.5000000), wk = 0.0025000 k( 116) = ( 0.1975565 0.4343986 0.5000000), wk = 0.0025000 k( 117) = ( 0.2173121 0.4278384 0.5000000), wk = 0.0025000 k( 118) = ( 0.2370677 0.4212783 0.5000000), wk = 0.0025000 k( 119) = ( 0.2568234 0.4147181 0.5000000), wk = 0.0025000 k( 120) = ( 0.2765790 0.4081580 0.5000000), wk = 0.0025000 k( 121) = ( 0.2963347 0.4015978 0.5000000), wk = 0.0025000 k( 122) = ( 0.3160903 0.3950377 0.5000000), wk = 0.0025000 k( 123) = ( 0.3358460 0.3884776 0.5000000), wk = 0.0025000 k( 124) = ( 0.3556016 0.3819174 0.5000000), wk = 0.0025000 k( 125) = ( 0.3753573 0.3753573 0.5000000), wk = 0.0025000 k( 126) = ( 0.3753573 0.3753573 0.5000000), wk = 0.0025000 k( 127) = ( 0.3639828 0.3639828 0.5000000), wk = 0.0025000 k( 128) = ( 0.3526084 0.3526083 0.5000000), wk = 0.0025000 k( 129) = ( 0.3412339 0.3412339 0.5000000), wk = 0.0025000 k( 130) = ( 0.3298594 0.3298594 0.5000000), wk = 0.0025000 k( 131) = ( 0.3184850 0.3184850 0.5000000), wk = 0.0025000 k( 132) = ( 0.3071105 0.3071105 0.5000000), wk = 0.0025000 k( 133) = ( 0.2957360 0.2957360 0.5000000), wk = 0.0025000 k( 134) = ( 0.2843616 0.2843616 0.5000000), wk = 0.0025000 k( 135) = ( 0.2729871 0.2729871 0.5000000), wk = 0.0025000 k( 136) = ( 0.2616127 0.2616127 0.5000000), wk = 0.0025000 k( 137) = ( 0.2502382 0.2502382 0.5000000), wk = 0.0025000 k( 138) = ( 0.2388637 0.2388637 0.5000000), wk = 0.0025000 k( 139) = ( 0.2274893 0.2274893 0.5000000), wk = 0.0025000 k( 140) = ( 0.2161148 0.2161148 0.5000000), wk = 0.0025000 k( 141) = ( 0.2047403 0.2047403 0.5000000), wk = 0.0025000 k( 142) = ( 0.1933659 0.1933659 0.5000000), wk = 0.0025000 k( 143) = ( 0.1819914 0.1819914 0.5000000), wk = 0.0025000 k( 144) = ( 0.1706169 0.1706169 0.5000000), wk = 0.0025000 k( 145) = ( 0.1592425 0.1592425 0.5000000), wk = 0.0025000 k( 146) = ( 0.1478680 0.1478680 0.5000000), wk = 0.0025000 k( 147) = ( 0.1364936 0.1364936 0.5000000), wk = 0.0025000 k( 148) = ( 0.1251191 0.1251191 0.5000000), wk = 0.0025000 k( 149) = ( 0.1137446 0.1137446 0.5000000), wk = 0.0025000 k( 150) = ( 0.1023702 0.1023702 0.5000000), wk = 0.0025000 k( 151) = ( 0.0909957 0.0909957 0.5000000), wk = 0.0025000 k( 152) = ( 0.0796212 0.0796212 0.5000000), wk = 0.0025000 k( 153) = ( 0.0682468 0.0682468 0.5000000), wk = 0.0025000 k( 154) = ( 0.0568723 0.0568723 0.5000000), wk = 0.0025000 k( 155) = ( 0.0454978 0.0454978 0.5000000), wk = 0.0025000 k( 156) = ( 0.0341234 0.0341234 0.5000000), wk = 0.0025000 k( 157) = ( 0.0227489 0.0227489 0.5000000), wk = 0.0025000 k( 158) = ( 0.0113745 0.0113745 0.5000000), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0025000 k( 185) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025000 k( 186) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0025000 k( 187) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0025000 k( 188) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0025000 k( 189) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0025000 k( 190) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025000 k( 191) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0025000 k( 192) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0025000 k( 193) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0025000 k( 194) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0025000 k( 195) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0025000 k( 196) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0025000 k( 197) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0025000 k( 198) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0025000 k( 199) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0025000 k( 200) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025000 k( 201) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0025000 k( 202) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0025000 k( 203) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0025000 k( 204) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0025000 k( 205) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0025000 k( 206) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0025000 k( 207) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0025000 k( 208) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0025000 k( 209) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0025000 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 212) = ( -0.0161290 0.0161290 -0.0000000), wk = 0.0025000 k( 213) = ( -0.0322581 0.0322581 -0.0000000), wk = 0.0025000 k( 214) = ( -0.0483871 0.0483871 -0.0000000), wk = 0.0025000 k( 215) = ( -0.0645161 0.0645161 -0.0000000), wk = 0.0025000 k( 216) = ( -0.0806452 0.0806452 -0.0000000), wk = 0.0025000 k( 217) = ( -0.0967742 0.0967742 0.0000000), wk = 0.0025000 k( 218) = ( -0.1129032 0.1129032 0.0000000), wk = 0.0025000 k( 219) = ( -0.1290323 0.1290323 -0.0000000), wk = 0.0025000 k( 220) = ( -0.1451613 0.1451613 0.0000000), wk = 0.0025000 k( 221) = ( -0.1612903 0.1612903 -0.0000000), wk = 0.0025000 k( 222) = ( -0.1774194 0.1774194 -0.0000000), wk = 0.0025000 k( 223) = ( -0.1935484 0.1935484 -0.0000000), wk = 0.0025000 k( 224) = ( -0.2096774 0.2096774 -0.0000000), wk = 0.0025000 k( 225) = ( -0.2258064 0.2258064 0.0000000), wk = 0.0025000 k( 226) = ( -0.2419355 0.2419355 -0.0000000), wk = 0.0025000 k( 227) = ( -0.2580645 0.2580645 -0.0000000), wk = 0.0025000 k( 228) = ( -0.2741936 0.2741936 -0.0000000), wk = 0.0025000 k( 229) = ( -0.2903226 0.2903226 0.0000000), wk = 0.0025000 k( 230) = ( -0.3064516 0.3064516 -0.0000000), wk = 0.0025000 k( 231) = ( -0.3225807 0.3225807 0.0000000), wk = 0.0025000 k( 232) = ( -0.3387097 0.3387097 -0.0000000), wk = 0.0025000 k( 233) = ( -0.3548387 0.3548387 -0.0000000), wk = 0.0025000 k( 234) = ( -0.3709677 0.3709677 -0.0000000), wk = 0.0025000 k( 235) = ( -0.3870968 0.3870968 -0.0000000), wk = 0.0025000 k( 236) = ( -0.4032258 0.4032258 -0.0000000), wk = 0.0025000 k( 237) = ( -0.4193548 0.4193548 -0.0000000), wk = 0.0025000 k( 238) = ( -0.4354839 0.4354839 0.0000000), wk = 0.0025000 k( 239) = ( -0.4516129 0.4516129 0.0000000), wk = 0.0025000 k( 240) = ( -0.4677419 0.4677419 -0.0000000), wk = 0.0025000 k( 241) = ( -0.4838710 0.4838710 -0.0000000), wk = 0.0025000 k( 242) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025000 k( 243) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025000 k( 244) = ( -0.4886688 0.5113312 0.0000000), wk = 0.0025000 k( 245) = ( -0.4773377 0.5226623 -0.0000000), wk = 0.0025000 k( 246) = ( -0.4660065 0.5339935 0.0000000), wk = 0.0025000 k( 247) = ( -0.4546754 0.5453246 0.0000000), wk = 0.0025000 k( 248) = ( -0.4433442 0.5566558 -0.0000000), wk = 0.0025000 k( 249) = ( -0.4320131 0.5679869 -0.0000000), wk = 0.0025000 k( 250) = ( -0.4206819 0.5793181 0.0000000), wk = 0.0025000 k( 251) = ( -0.4093507 0.5906492 -0.0000000), wk = 0.0025000 k( 252) = ( -0.3980196 0.6019804 0.0000000), wk = 0.0025000 k( 253) = ( -0.3866884 0.6133116 -0.0000000), wk = 0.0025000 k( 254) = ( -0.3753573 0.6246427 -0.0000000), wk = 0.0025000 k( 255) = ( -0.3753573 0.6246427 -0.0000000), wk = 0.0025000 k( 256) = ( -0.3753573 0.6246427 0.0100000), wk = 0.0025000 k( 257) = ( -0.3753573 0.6246427 0.0200000), wk = 0.0025000 k( 258) = ( -0.3753573 0.6246427 0.0300000), wk = 0.0025000 k( 259) = ( -0.3753573 0.6246427 0.0400000), wk = 0.0025000 k( 260) = ( -0.3753573 0.6246427 0.0500000), wk = 0.0025000 k( 261) = ( -0.3753573 0.6246427 0.0600000), wk = 0.0025000 k( 262) = ( -0.3753573 0.6246427 0.0700000), wk = 0.0025000 k( 263) = ( -0.3753573 0.6246427 0.0800000), wk = 0.0025000 k( 264) = ( -0.3753573 0.6246427 0.0900000), wk = 0.0025000 k( 265) = ( -0.3753573 0.6246427 0.1000000), wk = 0.0025000 k( 266) = ( -0.3753573 0.6246427 0.1100000), wk = 0.0025000 k( 267) = ( -0.3753573 0.6246427 0.1200000), wk = 0.0025000 k( 268) = ( -0.3753573 0.6246427 0.1300000), wk = 0.0025000 k( 269) = ( -0.3753573 0.6246427 0.1400000), wk = 0.0025000 k( 270) = ( -0.3753573 0.6246427 0.1500000), wk = 0.0025000 k( 271) = ( -0.3753573 0.6246427 0.1600000), wk = 0.0025000 k( 272) = ( -0.3753573 0.6246427 0.1700000), wk = 0.0025000 k( 273) = ( -0.3753573 0.6246427 0.1800000), wk = 0.0025000 k( 274) = ( -0.3753573 0.6246427 0.1900000), wk = 0.0025000 k( 275) = ( -0.3753573 0.6246427 0.2000000), wk = 0.0025000 k( 276) = ( -0.3753573 0.6246427 0.2100000), wk = 0.0025000 k( 277) = ( -0.3753573 0.6246427 0.2200000), wk = 0.0025000 k( 278) = ( -0.3753573 0.6246427 0.2300000), wk = 0.0025000 k( 279) = ( -0.3753573 0.6246427 0.2400000), wk = 0.0025000 k( 280) = ( -0.3753573 0.6246427 0.2500000), wk = 0.0025000 k( 281) = ( -0.3753573 0.6246427 0.2600000), wk = 0.0025000 k( 282) = ( -0.3753573 0.6246427 0.2700000), wk = 0.0025000 k( 283) = ( -0.3753573 0.6246427 0.2800000), wk = 0.0025000 k( 284) = ( -0.3753573 0.6246427 0.2900000), wk = 0.0025000 k( 285) = ( -0.3753573 0.6246427 0.3000000), wk = 0.0025000 k( 286) = ( -0.3753573 0.6246427 0.3100000), wk = 0.0025000 k( 287) = ( -0.3753573 0.6246427 0.3200000), wk = 0.0025000 k( 288) = ( -0.3753573 0.6246427 0.3300000), wk = 0.0025000 k( 289) = ( -0.3753573 0.6246427 0.3400000), wk = 0.0025000 k( 290) = ( -0.3753573 0.6246427 0.3500000), wk = 0.0025000 k( 291) = ( -0.3753573 0.6246427 0.3600000), wk = 0.0025000 k( 292) = ( -0.3753573 0.6246427 0.3700000), wk = 0.0025000 k( 293) = ( -0.3753573 0.6246427 0.3800000), wk = 0.0025000 k( 294) = ( -0.3753573 0.6246427 0.3900000), wk = 0.0025000 k( 295) = ( -0.3753573 0.6246427 0.4000000), wk = 0.0025000 k( 296) = ( -0.3753573 0.6246427 0.4100000), wk = 0.0025000 k( 297) = ( -0.3753573 0.6246427 0.4200000), wk = 0.0025000 k( 298) = ( -0.3753573 0.6246427 0.4300000), wk = 0.0025000 k( 299) = ( -0.3753573 0.6246427 0.4400000), wk = 0.0025000 k( 300) = ( -0.3753573 0.6246427 0.4500000), wk = 0.0025000 k( 301) = ( -0.3753573 0.6246427 0.4600000), wk = 0.0025000 k( 302) = ( -0.3753573 0.6246427 0.4700000), wk = 0.0025000 k( 303) = ( -0.3753573 0.6246427 0.4800000), wk = 0.0025000 k( 304) = ( -0.3753573 0.6246427 0.4900000), wk = 0.0025000 k( 305) = ( -0.3753573 0.6246427 0.5000000), wk = 0.0025000 k( 306) = ( -0.3753573 0.6246427 0.5000000), wk = 0.0025000 k( 307) = ( -0.3866884 0.6133116 0.5000000), wk = 0.0025000 k( 308) = ( -0.3980196 0.6019804 0.5000000), wk = 0.0025000 k( 309) = ( -0.4093507 0.5906492 0.5000000), wk = 0.0025000 k( 310) = ( -0.4206819 0.5793181 0.5000000), wk = 0.0025000 k( 311) = ( -0.4320131 0.5679869 0.5000000), wk = 0.0025000 k( 312) = ( -0.4433442 0.5566558 0.5000000), wk = 0.0025000 k( 313) = ( -0.4546754 0.5453246 0.5000000), wk = 0.0025000 k( 314) = ( -0.4660065 0.5339935 0.5000000), wk = 0.0025000 k( 315) = ( -0.4773377 0.5226623 0.5000000), wk = 0.0025000 k( 316) = ( -0.4886688 0.5113312 0.5000000), wk = 0.0025000 k( 317) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 318) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 319) = ( -0.5000000 0.5000000 0.4900000), wk = 0.0025000 k( 320) = ( -0.5000000 0.5000000 0.4800000), wk = 0.0025000 k( 321) = ( -0.5000000 0.5000000 0.4700000), wk = 0.0025000 k( 322) = ( -0.5000000 0.5000000 0.4600000), wk = 0.0025000 k( 323) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0025000 k( 324) = ( -0.5000000 0.5000000 0.4400000), wk = 0.0025000 k( 325) = ( -0.5000000 0.5000000 0.4300000), wk = 0.0025000 k( 326) = ( -0.5000000 0.5000000 0.4200000), wk = 0.0025000 k( 327) = ( -0.5000000 0.5000000 0.4100000), wk = 0.0025000 k( 328) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0025000 k( 329) = ( -0.5000000 0.5000000 0.3900000), wk = 0.0025000 k( 330) = ( -0.5000000 0.5000000 0.3800000), wk = 0.0025000 k( 331) = ( -0.5000000 0.5000000 0.3700000), wk = 0.0025000 k( 332) = ( -0.5000000 0.5000000 0.3600000), wk = 0.0025000 k( 333) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0025000 k( 334) = ( -0.5000000 0.5000000 0.3400000), wk = 0.0025000 k( 335) = ( -0.5000000 0.5000000 0.3300000), wk = 0.0025000 k( 336) = ( -0.5000000 0.5000000 0.3200000), wk = 0.0025000 k( 337) = ( -0.5000000 0.5000000 0.3100000), wk = 0.0025000 k( 338) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0025000 k( 339) = ( -0.5000000 0.5000000 0.2900000), wk = 0.0025000 k( 340) = ( -0.5000000 0.5000000 0.2800000), wk = 0.0025000 k( 341) = ( -0.5000000 0.5000000 0.2700000), wk = 0.0025000 k( 342) = ( -0.5000000 0.5000000 0.2600000), wk = 0.0025000 k( 343) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0025000 k( 344) = ( -0.5000000 0.5000000 0.2400000), wk = 0.0025000 k( 345) = ( -0.5000000 0.5000000 0.2300000), wk = 0.0025000 k( 346) = ( -0.5000000 0.5000000 0.2200000), wk = 0.0025000 k( 347) = ( -0.5000000 0.5000000 0.2100000), wk = 0.0025000 k( 348) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0025000 k( 349) = ( -0.5000000 0.5000000 0.1900000), wk = 0.0025000 k( 350) = ( -0.5000000 0.5000000 0.1800000), wk = 0.0025000 k( 351) = ( -0.5000000 0.5000000 0.1700000), wk = 0.0025000 k( 352) = ( -0.5000000 0.5000000 0.1600000), wk = 0.0025000 k( 353) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0025000 k( 354) = ( -0.5000000 0.5000000 0.1400000), wk = 0.0025000 k( 355) = ( -0.5000000 0.5000000 0.1300000), wk = 0.0025000 k( 356) = ( -0.5000000 0.5000000 0.1200000), wk = 0.0025000 k( 357) = ( -0.5000000 0.5000000 0.1100000), wk = 0.0025000 k( 358) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0025000 k( 359) = ( -0.5000000 0.5000000 0.0900000), wk = 0.0025000 k( 360) = ( -0.5000000 0.5000000 0.0800000), wk = 0.0025000 k( 361) = ( -0.5000000 0.5000000 0.0700000), wk = 0.0025000 k( 362) = ( -0.5000000 0.5000000 0.0600000), wk = 0.0025000 k( 363) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0025000 k( 364) = ( -0.5000000 0.5000000 0.0400000), wk = 0.0025000 k( 365) = ( -0.5000000 0.5000000 0.0300000), wk = 0.0025000 k( 366) = ( -0.5000000 0.5000000 0.0200000), wk = 0.0025000 k( 367) = ( -0.5000000 0.5000000 0.0100000), wk = 0.0025000 k( 368) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025000 k( 369) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 370) = ( -0.0161290 0.0161290 0.5000000), wk = 0.0025000 k( 371) = ( -0.0322581 0.0322581 0.5000000), wk = 0.0025000 k( 372) = ( -0.0483871 0.0483871 0.5000000), wk = 0.0025000 k( 373) = ( -0.0645161 0.0645161 0.5000000), wk = 0.0025000 k( 374) = ( -0.0806452 0.0806452 0.5000000), wk = 0.0025000 k( 375) = ( -0.0967742 0.0967742 0.5000000), wk = 0.0025000 k( 376) = ( -0.1129032 0.1129032 0.5000000), wk = 0.0025000 k( 377) = ( -0.1290323 0.1290323 0.5000000), wk = 0.0025000 k( 378) = ( -0.1451613 0.1451613 0.5000000), wk = 0.0025000 k( 379) = ( -0.1612903 0.1612903 0.5000000), wk = 0.0025000 k( 380) = ( -0.1774194 0.1774194 0.5000000), wk = 0.0025000 k( 381) = ( -0.1935484 0.1935484 0.5000000), wk = 0.0025000 k( 382) = ( -0.2096774 0.2096774 0.5000000), wk = 0.0025000 k( 383) = ( -0.2258064 0.2258064 0.5000000), wk = 0.0025000 k( 384) = ( -0.2419355 0.2419355 0.5000000), wk = 0.0025000 k( 385) = ( -0.2580645 0.2580645 0.5000000), wk = 0.0025000 k( 386) = ( -0.2741936 0.2741936 0.5000000), wk = 0.0025000 k( 387) = ( -0.2903226 0.2903226 0.5000000), wk = 0.0025000 k( 388) = ( -0.3064516 0.3064516 0.5000000), wk = 0.0025000 k( 389) = ( -0.3225807 0.3225807 0.5000000), wk = 0.0025000 k( 390) = ( -0.3387097 0.3387097 0.5000000), wk = 0.0025000 k( 391) = ( -0.3548387 0.3548387 0.5000000), wk = 0.0025000 k( 392) = ( -0.3709677 0.3709677 0.5000000), wk = 0.0025000 k( 393) = ( -0.3870968 0.3870968 0.5000000), wk = 0.0025000 k( 394) = ( -0.4032258 0.4032258 0.5000000), wk = 0.0025000 k( 395) = ( -0.4193548 0.4193548 0.5000000), wk = 0.0025000 k( 396) = ( -0.4354839 0.4354839 0.5000000), wk = 0.0025000 k( 397) = ( -0.4516129 0.4516129 0.5000000), wk = 0.0025000 k( 398) = ( -0.4677419 0.4677419 0.5000000), wk = 0.0025000 k( 399) = ( -0.4838710 0.4838710 0.5000000), wk = 0.0025000 k( 400) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 213999 G-vectors FFT dimensions: ( 96, 96, 50) Smooth grid: 27777 G-vectors FFT dimensions: ( 50, 50, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 200, 50) NL pseudopotentials 0.21 Mb ( 100, 136) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.05 Mb ( 5945) G-vector shells 0.02 Mb ( 2953) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 200, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 136, 2, 50) The potential is recalculated from file : ./CdPt3.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.4 secs Computing kpt #: 14 total cpu time spent up to now is 8.8 secs Computing kpt #: 15 total cpu time spent up to now is 9.3 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.2 secs Computing kpt #: 18 total cpu time spent up to now is 10.6 secs Computing kpt #: 19 total cpu time spent up to now is 11.1 secs Computing kpt #: 20 total cpu time spent up to now is 11.5 secs Computing kpt #: 21 total cpu time spent up to now is 12.0 secs Computing kpt #: 22 total cpu time spent up to now is 12.4 secs Computing kpt #: 23 total cpu time spent up to now is 12.9 secs Computing kpt #: 24 total cpu time spent up to now is 13.4 secs Computing kpt #: 25 total cpu time spent up to now is 13.8 secs Computing kpt #: 26 total cpu time spent up to now is 14.3 secs Computing kpt #: 27 total cpu time spent up to now is 14.8 secs Computing kpt #: 28 total cpu time spent up to now is 15.4 secs Computing kpt #: 29 total cpu time spent up to now is 15.9 secs Computing kpt #: 30 total cpu time spent up to now is 16.4 secs Computing kpt #: 31 total cpu time spent up to now is 17.0 secs Computing kpt #: 32 total cpu time spent up to now is 17.5 secs Computing kpt #: 33 total cpu time spent up to now is 18.1 secs Computing kpt #: 34 total cpu time spent up to now is 18.6 secs Computing kpt #: 35 total cpu time spent up to now is 19.1 secs Computing kpt #: 36 total cpu time spent up to now is 19.6 secs Computing kpt #: 37 total cpu time spent up to now is 20.2 secs Computing kpt #: 38 total cpu time spent up to now is 20.7 secs Computing kpt #: 39 total cpu time spent up to now is 21.1 secs Computing kpt #: 40 total cpu time spent up to now is 21.6 secs Computing kpt #: 41 total cpu time spent up to now is 22.0 secs Computing kpt #: 42 total cpu time spent up to now is 22.4 secs Computing kpt #: 43 total cpu time spent up to now is 22.8 secs Computing kpt #: 44 total cpu time spent up to now is 23.3 secs Computing kpt #: 45 total cpu time spent up to now is 23.7 secs Computing kpt #: 46 total cpu time spent up to now is 24.1 secs Computing kpt #: 47 total cpu time spent up to now is 24.5 secs Computing kpt #: 48 total cpu time spent up to now is 24.9 secs Computing kpt #: 49 total cpu time spent up to now is 25.4 secs Computing kpt #: 50 total cpu time spent up to now is 25.8 secs Computing kpt #: 51 total cpu time spent up to now is 26.3 secs Computing kpt #: 52 total cpu time spent up to now is 26.7 secs Computing kpt #: 53 total cpu time spent up to now is 27.2 secs Computing kpt #: 54 total cpu time spent up to now is 27.8 secs Computing kpt #: 55 total cpu time spent up to now is 28.3 secs Computing kpt #: 56 total cpu time spent up to now is 28.8 secs Computing kpt #: 57 total cpu time spent up to now is 29.3 secs Computing kpt #: 58 total cpu time spent up to now is 29.8 secs Computing kpt #: 59 total cpu time spent up to now is 30.3 secs Computing kpt #: 60 total cpu time spent up to now is 30.8 secs Computing kpt #: 61 total cpu time spent up to now is 31.3 secs Computing kpt #: 62 total cpu time spent up to now is 31.8 secs Computing kpt #: 63 total cpu time spent up to now is 32.4 secs Computing kpt #: 64 total cpu time spent up to now is 32.9 secs Computing kpt #: 65 total cpu time spent up to now is 33.4 secs Computing kpt #: 66 total cpu time spent up to now is 33.9 secs Computing kpt #: 67 total cpu time spent up to now is 34.4 secs Computing kpt #: 68 total cpu time spent up to now is 34.9 secs Computing kpt #: 69 total cpu time spent up to now is 35.4 secs Computing kpt #: 70 total cpu time spent up to now is 35.9 secs Computing kpt #: 71 total cpu time spent up to now is 36.4 secs Computing kpt #: 72 total cpu time spent up to now is 36.9 secs Computing kpt #: 73 total cpu time spent up to now is 37.4 secs Computing kpt #: 74 total cpu time spent up to now is 37.9 secs Computing kpt #: 75 total cpu time spent up to now is 38.4 secs Computing kpt #: 76 total cpu time spent up to now is 38.9 secs Computing kpt #: 77 total cpu time spent up to now is 39.4 secs Computing kpt #: 78 total cpu time spent up to now is 39.9 secs Computing kpt #: 79 total cpu time spent up to now is 40.4 secs Computing kpt #: 80 total cpu time spent up to now is 40.9 secs Computing kpt #: 81 total cpu time spent up to now is 41.4 secs Computing kpt #: 82 total cpu time spent up to now is 42.0 secs Computing kpt #: 83 total cpu time spent up to now is 42.5 secs Computing kpt #: 84 total cpu time spent up to now is 43.3 secs Computing kpt #: 85 total cpu time spent up to now is 44.0 secs Computing kpt #: 86 total cpu time spent up to now is 44.6 secs Computing kpt #: 87 total cpu time spent up to now is 45.2 secs Computing kpt #: 88 total cpu time spent up to now is 45.7 secs Computing kpt #: 89 total cpu time spent up to now is 46.2 secs Computing kpt #: 90 total cpu time spent up to now is 46.6 secs Computing kpt #: 91 total cpu time spent up to now is 47.1 secs Computing kpt #: 92 total cpu time spent up to now is 47.5 secs Computing kpt #: 93 total cpu time spent up to now is 48.0 secs Computing kpt #: 94 total cpu time spent up to now is 48.4 secs Computing kpt #: 95 total cpu time spent up to now is 48.9 secs Computing kpt #: 96 total cpu time spent up to now is 49.4 secs Computing kpt #: 97 total cpu time spent up to now is 49.9 secs Computing kpt #: 98 total cpu time spent up to now is 50.5 secs Computing kpt #: 99 total cpu time spent up to now is 51.0 secs Computing kpt #: 100 total cpu time spent up to now is 51.5 secs Computing kpt #: 101 total cpu time spent up to now is 52.0 secs Computing kpt #: 102 total cpu time spent up to now is 52.6 secs Computing kpt #: 103 total cpu time spent up to now is 53.1 secs Computing kpt #: 104 total cpu time spent up to now is 53.6 secs Computing kpt #: 105 total cpu time spent up to now is 54.2 secs Computing kpt #: 106 total cpu time spent up to now is 54.7 secs Computing kpt #: 107 total cpu time spent up to now is 55.4 secs Computing kpt #: 108 total cpu time spent up to now is 56.0 secs Computing kpt #: 109 total cpu time spent up to now is 56.6 secs Computing kpt #: 110 total cpu time spent up to now is 57.2 secs Computing kpt #: 111 total cpu time spent up to now is 57.8 secs Computing kpt #: 112 total cpu time spent up to now is 58.3 secs Computing kpt #: 113 total cpu time spent up to now is 58.9 secs Computing kpt #: 114 total cpu time spent up to now is 59.5 secs Computing kpt #: 115 total cpu time spent up to now is 60.1 secs Computing kpt #: 116 total cpu time spent up to now is 60.7 secs Computing kpt #: 117 total cpu time spent up to now is 61.3 secs Computing kpt #: 118 total cpu time spent up to now is 61.9 secs Computing kpt #: 119 total cpu time spent up to now is 62.5 secs Computing kpt #: 120 total cpu time spent up to now is 63.1 secs Computing kpt #: 121 total cpu time spent up to now is 63.7 secs Computing kpt #: 122 total cpu time spent up to now is 64.2 secs Computing kpt #: 123 total cpu time spent up to now is 64.8 secs Computing kpt #: 124 total cpu time spent up to now is 65.4 secs Computing kpt #: 125 total cpu time spent up to now is 66.0 secs Computing kpt #: 126 total cpu time spent up to now is 66.5 secs Computing kpt #: 127 total cpu time spent up to now is 67.1 secs Computing kpt #: 128 total cpu time spent up to now is 67.7 secs Computing kpt #: 129 total cpu time spent up to now is 68.3 secs Computing kpt #: 130 total cpu time spent up to now is 68.8 secs Computing kpt #: 131 total cpu time spent up to now is 69.4 secs Computing kpt #: 132 total cpu time spent up to now is 70.0 secs Computing kpt #: 133 total cpu time spent up to now is 70.6 secs Computing kpt #: 134 total cpu time spent up to now is 71.1 secs Computing kpt #: 135 total cpu time spent up to now is 71.7 secs Computing kpt #: 136 total cpu time spent up to now is 72.3 secs Computing kpt #: 137 total cpu time spent up to now is 72.9 secs Computing kpt #: 138 total cpu time spent up to now is 73.5 secs Computing kpt #: 139 total cpu time spent up to now is 74.0 secs Computing kpt #: 140 total cpu time spent up to now is 74.6 secs Computing kpt #: 141 total cpu time spent up to now is 75.1 secs Computing kpt #: 142 total cpu time spent up to now is 75.7 secs Computing kpt #: 143 total cpu time spent up to now is 76.1 secs Computing kpt #: 144 total cpu time spent up to now is 76.6 secs Computing kpt #: 145 total cpu time spent up to now is 77.1 secs Computing kpt #: 146 total cpu time spent up to now is 77.6 secs Computing kpt #: 147 total cpu time spent up to now is 78.0 secs Computing kpt #: 148 total cpu time spent up to now is 78.5 secs Computing kpt #: 149 total cpu time spent up to now is 79.0 secs Computing kpt #: 150 total cpu time spent up to now is 79.5 secs Computing kpt #: 151 total cpu time spent up to now is 80.0 secs Computing kpt #: 152 total cpu time spent up to now is 80.5 secs Computing kpt #: 153 total cpu time spent up to now is 81.1 secs Computing kpt #: 154 total cpu time spent up to now is 81.6 secs Computing kpt #: 155 total cpu time spent up to now is 82.1 secs Computing kpt #: 156 total cpu time spent up to now is 82.6 secs Computing kpt #: 157 total cpu time spent up to now is 83.2 secs Computing kpt #: 158 total cpu time spent up to now is 83.7 secs Computing kpt #: 159 total cpu time spent up to now is 84.2 secs Computing kpt #: 160 total cpu time spent up to now is 84.8 secs Computing kpt #: 161 total cpu time spent up to now is 85.3 secs Computing kpt #: 162 total cpu time spent up to now is 85.8 secs Computing kpt #: 163 total cpu time spent up to now is 86.4 secs Computing kpt #: 164 total cpu time spent up to now is 86.9 secs Computing kpt #: 165 total cpu time spent up to now is 87.5 secs Computing kpt #: 166 total cpu time spent up to now is 88.4 secs Computing kpt #: 167 total cpu time spent up to now is 89.5 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.9 secs Computing kpt #: 169 total cpu time spent up to now is 92.0 secs Computing kpt #: 170 total cpu time spent up to now is 92.9 secs Computing kpt #: 171 total cpu time spent up to now is 93.6 secs Computing kpt #: 172 total cpu time spent up to now is 94.3 secs Computing kpt #: 173 total cpu time spent up to now is 95.0 secs Computing kpt #: 174 total cpu time spent up to now is 95.7 secs Computing kpt #: 175 total cpu time spent up to now is 96.3 secs Computing kpt #: 176 total cpu time spent up to now is 96.9 secs Computing kpt #: 177 total cpu time spent up to now is 97.5 secs Computing kpt #: 178 total cpu time spent up to now is 98.1 secs Computing kpt #: 179 total cpu time spent up to now is 98.7 secs Computing kpt #: 180 total cpu time spent up to now is 99.2 secs Computing kpt #: 181 total cpu time spent up to now is 99.8 secs Computing kpt #: 182 total cpu time spent up to now is 100.3 secs Computing kpt #: 183 total cpu time spent up to now is 101.0 secs Computing kpt #: 184 total cpu time spent up to now is 101.6 secs Computing kpt #: 185 total cpu time spent up to now is 102.1 secs Computing kpt #: 186 total cpu time spent up to now is 102.6 secs Computing kpt #: 187 total cpu time spent up to now is 103.0 secs Computing kpt #: 188 total cpu time spent up to now is 103.5 secs Computing kpt #: 189 total cpu time spent up to now is 103.9 secs Computing kpt #: 190 total cpu time spent up to now is 104.4 secs Computing kpt #: 191 total cpu time spent up to now is 104.8 secs Computing kpt #: 192 total cpu time spent up to now is 105.3 secs Computing kpt #: 193 total cpu time spent up to now is 105.7 secs Computing kpt #: 194 total cpu time spent up to now is 106.2 secs Computing kpt #: 195 total cpu time spent up to now is 106.6 secs Computing kpt #: 196 total cpu time spent up to now is 107.0 secs Computing kpt #: 197 total cpu time spent up to now is 107.5 secs Computing kpt #: 198 total cpu time spent up to now is 107.9 secs Computing kpt #: 199 total cpu time spent up to now is 108.4 secs Computing kpt #: 200 total cpu time spent up to now is 108.8 secs Computing kpt #: 201 total cpu time spent up to now is 109.3 secs Computing kpt #: 202 total cpu time spent up to now is 109.7 secs Computing kpt #: 203 total cpu time spent up to now is 110.2 secs Computing kpt #: 204 total cpu time spent up to now is 110.7 secs Computing kpt #: 205 total cpu time spent up to now is 111.1 secs Computing kpt #: 206 total cpu time spent up to now is 111.6 secs Computing kpt #: 207 total cpu time spent up to now is 112.1 secs Computing kpt #: 208 total cpu time spent up to now is 112.6 secs Computing kpt #: 209 total cpu time spent up to now is 113.0 secs Computing kpt #: 210 total cpu time spent up to now is 113.5 secs Computing kpt #: 211 total cpu time spent up to now is 113.9 secs Computing kpt #: 212 total cpu time spent up to now is 114.3 secs Computing kpt #: 213 total cpu time spent up to now is 114.8 secs Computing kpt #: 214 total cpu time spent up to now is 115.4 secs Computing kpt #: 215 total cpu time spent up to now is 115.9 secs Computing kpt #: 216 total cpu time spent up to now is 116.5 secs Computing kpt #: 217 total cpu time spent up to now is 117.1 secs Computing kpt #: 218 total cpu time spent up to now is 117.6 secs Computing kpt #: 219 total cpu time spent up to now is 118.2 secs Computing kpt #: 220 total cpu time spent up to now is 118.7 secs Computing kpt #: 221 total cpu time spent up to now is 119.2 secs Computing kpt #: 222 total cpu time spent up to now is 119.8 secs Computing kpt #: 223 total cpu time spent up to now is 120.3 secs Computing kpt #: 224 total cpu time spent up to now is 120.8 secs Computing kpt #: 225 total cpu time spent up to now is 121.3 secs Computing kpt #: 226 total cpu time spent up to now is 121.8 secs Computing kpt #: 227 total cpu time spent up to now is 122.4 secs Computing kpt #: 228 total cpu time spent up to now is 122.9 secs Computing kpt #: 229 total cpu time spent up to now is 123.4 secs Computing kpt #: 230 total cpu time spent up to now is 124.0 secs Computing kpt #: 231 total cpu time spent up to now is 124.5 secs Computing kpt #: 232 total cpu time spent up to now is 125.0 secs Computing kpt #: 233 total cpu time spent up to now is 125.6 secs Computing kpt #: 234 total cpu time spent up to now is 126.1 secs Computing kpt #: 235 total cpu time spent up to now is 126.7 secs Computing kpt #: 236 total cpu time spent up to now is 127.3 secs Computing kpt #: 237 total cpu time spent up to now is 127.8 secs Computing kpt #: 238 total cpu time spent up to now is 128.5 secs Computing kpt #: 239 total cpu time spent up to now is 129.2 secs Computing kpt #: 240 total cpu time spent up to now is 129.9 secs Computing kpt #: 241 total cpu time spent up to now is 130.6 secs Computing kpt #: 242 total cpu time spent up to now is 131.6 secs Computing kpt #: 243 total cpu time spent up to now is 132.5 secs Computing kpt #: 244 total cpu time spent up to now is 133.2 secs Computing kpt #: 245 total cpu time spent up to now is 133.8 secs Computing kpt #: 246 total cpu time spent up to now is 134.3 secs Computing kpt #: 247 total cpu time spent up to now is 134.8 secs Computing kpt #: 248 total cpu time spent up to now is 135.3 secs Computing kpt #: 249 total cpu time spent up to now is 135.9 secs Computing kpt #: 250 total cpu time spent up to now is 136.4 secs Computing kpt #: 251 total cpu time spent up to now is 136.9 secs Computing kpt #: 252 total cpu time spent up to now is 137.5 secs Computing kpt #: 253 total cpu time spent up to now is 138.0 secs Computing kpt #: 254 total cpu time spent up to now is 138.5 secs Computing kpt #: 255 total cpu time spent up to now is 139.0 secs Computing kpt #: 256 total cpu time spent up to now is 139.5 secs Computing kpt #: 257 total cpu time spent up to now is 140.0 secs Computing kpt #: 258 total cpu time spent up to now is 140.6 secs Computing kpt #: 259 total cpu time spent up to now is 141.1 secs Computing kpt #: 260 total cpu time spent up to now is 141.6 secs Computing kpt #: 261 total cpu time spent up to now is 142.2 secs Computing kpt #: 262 total cpu time spent up to now is 142.7 secs Computing kpt #: 263 total cpu time spent up to now is 143.2 secs Computing kpt #: 264 total cpu time spent up to now is 143.8 secs Computing kpt #: 265 total cpu time spent up to now is 144.3 secs Computing kpt #: 266 total cpu time spent up to now is 144.8 secs Computing kpt #: 267 total cpu time spent up to now is 145.3 secs Computing kpt #: 268 total cpu time spent up to now is 145.8 secs Computing kpt #: 269 total cpu time spent up to now is 146.4 secs Computing kpt #: 270 total cpu time spent up to now is 146.9 secs Computing kpt #: 271 total cpu time spent up to now is 147.4 secs Computing kpt #: 272 total cpu time spent up to now is 147.9 secs Computing kpt #: 273 total cpu time spent up to now is 148.4 secs Computing kpt #: 274 total cpu time spent up to now is 148.9 secs Computing kpt #: 275 total cpu time spent up to now is 149.4 secs Computing kpt #: 276 total cpu time spent up to now is 149.9 secs Computing kpt #: 277 total cpu time spent up to now is 150.5 secs Computing kpt #: 278 total cpu time spent up to now is 151.0 secs Computing kpt #: 279 total cpu time spent up to now is 151.5 secs Computing kpt #: 280 total cpu time spent up to now is 152.0 secs Computing kpt #: 281 total cpu time spent up to now is 152.5 secs Computing kpt #: 282 total cpu time spent up to now is 153.0 secs Computing kpt #: 283 total cpu time spent up to now is 153.5 secs Computing kpt #: 284 total cpu time spent up to now is 154.0 secs Computing kpt #: 285 total cpu time spent up to now is 154.5 secs Computing kpt #: 286 total cpu time spent up to now is 155.1 secs Computing kpt #: 287 total cpu time spent up to now is 155.5 secs Computing kpt #: 288 total cpu time spent up to now is 156.0 secs Computing kpt #: 289 total cpu time spent up to now is 156.4 secs Computing kpt #: 290 total cpu time spent up to now is 156.9 secs Computing kpt #: 291 total cpu time spent up to now is 157.4 secs Computing kpt #: 292 total cpu time spent up to now is 157.9 secs Computing kpt #: 293 total cpu time spent up to now is 158.3 secs Computing kpt #: 294 total cpu time spent up to now is 158.8 secs Computing kpt #: 295 total cpu time spent up to now is 159.3 secs Computing kpt #: 296 total cpu time spent up to now is 159.8 secs Computing kpt #: 297 total cpu time spent up to now is 160.4 secs Computing kpt #: 298 total cpu time spent up to now is 161.0 secs Computing kpt #: 299 total cpu time spent up to now is 161.5 secs Computing kpt #: 300 total cpu time spent up to now is 162.1 secs Computing kpt #: 301 total cpu time spent up to now is 162.7 secs Computing kpt #: 302 total cpu time spent up to now is 163.2 secs Computing kpt #: 303 total cpu time spent up to now is 163.8 secs Computing kpt #: 304 total cpu time spent up to now is 164.4 secs Computing kpt #: 305 total cpu time spent up to now is 164.9 secs Computing kpt #: 306 total cpu time spent up to now is 165.5 secs Computing kpt #: 307 total cpu time spent up to now is 166.1 secs Computing kpt #: 308 total cpu time spent up to now is 166.6 secs Computing kpt #: 309 total cpu time spent up to now is 167.2 secs Computing kpt #: 310 total cpu time spent up to now is 167.8 secs Computing kpt #: 311 total cpu time spent up to now is 168.3 secs Computing kpt #: 312 total cpu time spent up to now is 168.9 secs Computing kpt #: 313 total cpu time spent up to now is 169.5 secs Computing kpt #: 314 total cpu time spent up to now is 170.1 secs Computing kpt #: 315 total cpu time spent up to now is 170.7 secs Computing kpt #: 316 total cpu time spent up to now is 171.4 secs Computing kpt #: 317 total cpu time spent up to now is 172.0 secs Computing kpt #: 318 total cpu time spent up to now is 172.6 secs Computing kpt #: 319 total cpu time spent up to now is 173.2 secs Computing kpt #: 320 total cpu time spent up to now is 173.7 secs Computing kpt #: 321 total cpu time spent up to now is 174.2 secs Computing kpt #: 322 total cpu time spent up to now is 174.7 secs Computing kpt #: 323 total cpu time spent up to now is 175.2 secs Computing kpt #: 324 total cpu time spent up to now is 175.7 secs Computing kpt #: 325 total cpu time spent up to now is 176.1 secs Computing kpt #: 326 total cpu time spent up to now is 176.6 secs Computing kpt #: 327 total cpu time spent up to now is 177.2 secs Computing kpt #: 328 total cpu time spent up to now is 177.6 secs Computing kpt #: 329 total cpu time spent up to now is 178.1 secs Computing kpt #: 330 total cpu time spent up to now is 178.6 secs Computing kpt #: 331 total cpu time spent up to now is 179.1 secs Computing kpt #: 332 total cpu time spent up to now is 179.6 secs Computing kpt #: 333 total cpu time spent up to now is 180.1 secs Computing kpt #: 334 total cpu time spent up to now is 180.6 secs Computing kpt #: 335 total cpu time spent up to now is 181.2 secs Computing kpt #: 336 total cpu time spent up to now is 181.7 secs Computing kpt #: 337 total cpu time spent up to now is 182.3 secs Computing kpt #: 338 total cpu time spent up to now is 182.9 secs Computing kpt #: 339 total cpu time spent up to now is 183.5 secs Computing kpt #: 340 total cpu time spent up to now is 184.2 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 185.7 secs Computing kpt #: 342 total cpu time spent up to now is 186.6 secs Computing kpt #: 343 total cpu time spent up to now is 187.4 secs Computing kpt #: 344 total cpu time spent up to now is 188.2 secs Computing kpt #: 345 total cpu time spent up to now is 188.9 secs Computing kpt #: 346 total cpu time spent up to now is 189.7 secs Computing kpt #: 347 total cpu time spent up to now is 190.4 secs Computing kpt #: 348 total cpu time spent up to now is 191.1 secs Computing kpt #: 349 total cpu time spent up to now is 191.9 secs Computing kpt #: 350 total cpu time spent up to now is 192.7 secs Computing kpt #: 351 total cpu time spent up to now is 193.4 secs Computing kpt #: 352 total cpu time spent up to now is 194.1 secs Computing kpt #: 353 total cpu time spent up to now is 194.9 secs Computing kpt #: 354 total cpu time spent up to now is 195.7 secs Computing kpt #: 355 total cpu time spent up to now is 196.7 secs Computing kpt #: 356 total cpu time spent up to now is 197.5 secs Computing kpt #: 357 total cpu time spent up to now is 198.3 secs Computing kpt #: 358 total cpu time spent up to now is 199.0 secs Computing kpt #: 359 total cpu time spent up to now is 200.2 secs Computing kpt #: 360 total cpu time spent up to now is 201.3 secs Computing kpt #: 361 total cpu time spent up to now is 202.4 secs Computing kpt #: 362 total cpu time spent up to now is 203.5 secs Computing kpt #: 363 total cpu time spent up to now is 204.7 secs Computing kpt #: 364 total cpu time spent up to now is 205.8 secs Computing kpt #: 365 total cpu time spent up to now is 206.8 secs Computing kpt #: 366 total cpu time spent up to now is 207.8 secs Computing kpt #: 367 total cpu time spent up to now is 208.9 secs Computing kpt #: 368 total cpu time spent up to now is 209.8 secs Computing kpt #: 369 total cpu time spent up to now is 210.3 secs Computing kpt #: 370 total cpu time spent up to now is 210.9 secs Computing kpt #: 371 total cpu time spent up to now is 211.5 secs Computing kpt #: 372 total cpu time spent up to now is 212.1 secs Computing kpt #: 373 total cpu time spent up to now is 212.6 secs Computing kpt #: 374 total cpu time spent up to now is 213.2 secs Computing kpt #: 375 total cpu time spent up to now is 213.7 secs Computing kpt #: 376 total cpu time spent up to now is 214.3 secs Computing kpt #: 377 total cpu time spent up to now is 214.9 secs Computing kpt #: 378 total cpu time spent up to now is 215.6 secs Computing kpt #: 379 total cpu time spent up to now is 216.3 secs Computing kpt #: 380 total cpu time spent up to now is 217.0 secs Computing kpt #: 381 total cpu time spent up to now is 217.6 secs Computing kpt #: 382 total cpu time spent up to now is 218.2 secs Computing kpt #: 383 total cpu time spent up to now is 218.8 secs Computing kpt #: 384 total cpu time spent up to now is 219.3 secs Computing kpt #: 385 total cpu time spent up to now is 219.9 secs Computing kpt #: 386 total cpu time spent up to now is 220.5 secs Computing kpt #: 387 total cpu time spent up to now is 221.0 secs Computing kpt #: 388 total cpu time spent up to now is 221.5 secs Computing kpt #: 389 total cpu time spent up to now is 222.1 secs Computing kpt #: 390 total cpu time spent up to now is 222.6 secs Computing kpt #: 391 total cpu time spent up to now is 223.2 secs Computing kpt #: 392 total cpu time spent up to now is 223.7 secs Computing kpt #: 393 total cpu time spent up to now is 224.2 secs Computing kpt #: 394 total cpu time spent up to now is 224.7 secs Computing kpt #: 395 total cpu time spent up to now is 225.3 secs Computing kpt #: 396 total cpu time spent up to now is 225.9 secs Computing kpt #: 397 total cpu time spent up to now is 226.4 secs Computing kpt #: 398 total cpu time spent up to now is 227.0 secs Computing kpt #: 399 total cpu time spent up to now is 227.6 secs Computing kpt #: 400 total cpu time spent up to now is 228.3 secs ethr = 2.38E-08, avg # of iterations = 26.9 total cpu time spent up to now is 228.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3479 PWs) bands (ev): -2.2978 -2.2978 -2.0246 -2.0246 -1.4588 -1.4588 -1.3610 -1.3610 -1.2228 -1.2228 0.9048 0.9048 3.0088 3.0088 3.2422 3.2422 3.4326 3.4326 3.9307 3.9307 4.0963 4.0963 4.1374 4.1374 5.1666 5.1666 5.3716 5.3716 5.4987 5.4987 5.5998 5.5998 5.7499 5.7499 5.8946 5.8946 6.1881 6.1881 6.3335 6.3335 6.5331 6.5331 6.6704 6.6704 6.8802 6.8802 7.4028 7.4028 7.6655 7.6655 k = 0.0114 0.0161-0.0000 ( 3465 PWs) bands (ev): -2.2978 -2.2978 -2.0246 -2.0246 -1.4588 -1.4588 -1.3610 -1.3610 -1.2227 -1.2227 0.9065 0.9065 3.0086 3.0086 3.2417 3.2417 3.4330 3.4330 3.9312 3.9312 4.0963 4.0963 4.1373 4.1373 5.1641 5.1641 5.3699 5.3699 5.4986 5.4986 5.5997 5.5997 5.7482 5.7482 5.8928 5.8928 6.1874 6.1874 6.3325 6.3325 6.5213 6.5213 6.6645 6.6645 6.8738 6.8738 7.4228 7.4228 7.6661 7.6661 k = 0.0227 0.0321-0.0000 ( 3463 PWs) bands (ev): -2.2978 -2.2978 -2.0245 -2.0245 -1.4588 -1.4588 -1.3608 -1.3608 -1.2226 -1.2226 0.9114 0.9114 3.0079 3.0079 3.2402 3.2402 3.4340 3.4340 3.9325 3.9325 4.0963 4.0963 4.1372 4.1372 5.1567 5.1567 5.3649 5.3649 5.4984 5.4984 5.5993 5.5993 5.7432 5.7432 5.8876 5.8876 6.1851 6.1851 6.3291 6.3291 6.4900 6.4900 6.6451 6.6451 6.8583 6.8583 7.4769 7.4769 7.6723 7.6723 k = 0.0341 0.0482-0.0000 ( 3475 PWs) bands (ev): -2.2978 -2.2978 -2.0243 -2.0243 -1.4588 -1.4588 -1.3606 -1.3606 -1.2226 -1.2226 0.9197 0.9197 3.0068 3.0068 3.2377 3.2377 3.4356 3.4356 3.9348 3.9348 4.0964 4.0964 4.1370 4.1370 5.1443 5.1443 5.3559 5.3559 5.4981 5.4981 5.5987 5.5987 5.7348 5.7348 5.8794 5.8794 6.1812 6.1812 6.3229 6.3229 6.4474 6.4474 6.6116 6.6116 6.8387 6.8387 7.5522 7.5522 7.6942 7.6942 k = 0.0455 0.0643-0.0000 ( 3471 PWs) bands (ev): -2.2978 -2.2978 -2.0241 -2.0241 -1.4587 -1.4587 -1.3602 -1.3602 -1.2225 -1.2225 0.9312 0.9312 3.0051 3.0051 3.2341 3.2341 3.4379 3.4379 3.9379 3.9379 4.0964 4.0964 4.1368 4.1368 5.1269 5.1269 5.3424 5.3424 5.4979 5.4979 5.5978 5.5978 5.7232 5.7232 5.8688 5.8688 6.1752 6.1752 6.3129 6.3129 6.4003 6.4003 6.5691 6.5691 6.8167 6.8167 7.6307 7.6307 7.7450 7.7450 k = 0.0569 0.0803-0.0000 ( 3462 PWs) bands (ev): -2.2977 -2.2977 -2.0238 -2.0238 -1.4586 -1.4586 -1.3598 -1.3598 -1.2223 -1.2223 0.9460 0.9460 3.0029 3.0029 3.2294 3.2294 3.4409 3.4409 3.9419 3.9419 4.0963 4.0963 4.1364 4.1364 5.1047 5.1047 5.3233 5.3233 5.4979 5.4979 5.5967 5.5967 5.7089 5.7089 5.8563 5.8563 6.1667 6.1667 6.2971 6.2971 6.3543 6.3543 6.5249 6.5249 6.7921 6.7921 7.6980 7.6980 7.8335 7.8335 k = 0.0682 0.0964-0.0000 ( 3454 PWs) bands (ev): -2.2976 -2.2976 -2.0234 -2.0234 -1.4585 -1.4585 -1.3593 -1.3593 -1.2222 -1.2222 0.9641 0.9641 3.0001 3.0001 3.2237 3.2237 3.4444 3.4444 3.9466 3.9466 4.0963 4.0963 4.1360 4.1360 5.0777 5.0777 5.2978 5.2978 5.4982 5.4982 5.5953 5.5953 5.6926 5.6926 5.8427 5.8427 6.1548 6.1548 6.2715 6.2715 6.3152 6.3152 6.4851 6.4851 6.7654 6.7654 7.7611 7.7611 7.9470 7.9470 k = 0.0796 0.1124-0.0000 ( 3450 PWs) bands (ev): -2.2975 -2.2975 -2.0230 -2.0230 -1.4584 -1.4584 -1.3586 -1.3586 -1.2220 -1.2220 0.9854 0.9854 2.9966 2.9966 3.2169 3.2169 3.4484 3.4484 3.9522 3.9522 4.0961 4.0961 4.1356 4.1356 5.0463 5.0463 5.2652 5.2652 5.4989 5.4989 5.5936 5.5936 5.6754 5.6754 5.8284 5.8284 6.1390 6.1390 6.2341 6.2341 6.2869 6.2869 6.4534 6.4534 6.7376 6.7376 7.8281 7.8281 8.0713 8.0713 k = 0.0910 0.1285-0.0000 ( 3456 PWs) bands (ev): -2.2975 -2.2975 -2.0226 -2.0226 -1.4584 -1.4584 -1.3580 -1.3580 -1.2218 -1.2218 1.0100 1.0100 2.9923 2.9923 3.2089 3.2089 3.4529 3.4529 3.9584 3.9584 4.0958 4.0958 4.1352 4.1352 5.0108 5.0108 5.2253 5.2253 5.5001 5.5001 5.5915 5.5915 5.6583 5.6583 5.8138 5.8138 6.1192 6.1192 6.1909 6.1909 6.2656 6.2656 6.4300 6.4300 6.7096 6.7096 7.9010 7.9010 8.1984 8.1984 k = 0.1024 0.1446-0.0000 ( 3464 PWs) bands (ev): -2.2974 -2.2974 -2.0222 -2.0222 -1.4583 -1.4583 -1.3573 -1.3573 -1.2217 -1.2217 1.0377 1.0377 2.9871 2.9871 3.1998 3.1998 3.4578 3.4578 3.9654 3.9654 4.0953 4.0953 4.1348 4.1348 4.9717 4.9717 5.1784 5.1784 5.5018 5.5018 5.5886 5.5886 5.6424 5.6424 5.7991 5.7991 6.0960 6.0960 6.1469 6.1469 6.2490 6.2490 6.4131 6.4131 6.6821 6.6821 7.9793 7.9793 8.3207 8.3207 k = 0.1137 0.1606-0.0000 ( 3468 PWs) bands (ev): -2.2973 -2.2973 -2.0217 -2.0217 -1.4582 -1.4582 -1.3565 -1.3565 -1.2215 -1.2215 1.0686 1.0686 2.9810 2.9810 3.1895 3.1895 3.4630 3.4630 3.9729 3.9729 4.0946 4.0946 4.1344 4.1344 4.9298 4.9298 5.1257 5.1257 5.5040 5.5040 5.5842 5.5842 5.6285 5.6285 5.7847 5.7847 6.0709 6.0709 6.1046 6.1046 6.2359 6.2359 6.4005 6.4005 6.6556 6.6556 8.0623 8.0623 8.4284 8.4284 k = 0.1251 0.1767-0.0000 ( 3456 PWs) bands (ev): -2.2972 -2.2972 -2.0211 -2.0211 -1.4581 -1.4581 -1.3556 -1.3556 -1.2212 -1.2212 1.1026 1.1026 2.9738 2.9738 3.1779 3.1779 3.4684 3.4684 3.9809 3.9809 4.0935 4.0935 4.1343 4.1343 4.8857 4.8857 5.0683 5.0683 5.5066 5.5066 5.5771 5.5771 5.6178 5.6178 5.7708 5.7708 6.0447 6.0447 6.0656 6.0656 6.2254 6.2254 6.3907 6.3907 6.6302 6.6302 8.1486 8.1486 8.5099 8.5099 k = 0.1365 0.1928-0.0000 ( 3462 PWs) bands (ev): -2.2971 -2.2971 -2.0205 -2.0205 -1.4580 -1.4580 -1.3547 -1.3547 -1.2210 -1.2210 1.1398 1.1398 2.9655 2.9655 3.1650 3.1650 3.4740 3.4740 3.9893 3.9893 4.0919 4.0919 4.1344 4.1344 4.8402 4.8402 5.0077 5.0077 5.5094 5.5094 5.5666 5.5666 5.6110 5.6110 5.7579 5.7579 6.0175 6.0175 6.0310 6.0310 6.2168 6.2168 6.3826 6.3826 6.6061 6.6061 8.2366 8.2366 8.5601 8.5601 k = 0.1479 0.2088-0.0000 ( 3468 PWs) bands (ev): -2.2971 -2.2971 -2.0199 -2.0199 -1.4579 -1.4579 -1.3538 -1.3538 -1.2208 -1.2208 1.1799 1.1799 2.9560 2.9560 3.1508 3.1508 3.4796 3.4796 3.9979 3.9979 4.0900 4.0900 4.1350 4.1350 4.7941 4.7941 4.9452 4.9452 5.5121 5.5121 5.5536 5.5536 5.6074 5.6074 5.7462 5.7462 5.9888 5.9888 6.0020 6.0020 6.2093 6.2093 6.3755 6.3755 6.5833 6.5833 8.3229 8.3229 8.5863 8.5863 k = 0.1592 0.2249-0.0000 ( 3468 PWs) bands (ev): -2.2970 -2.2970 -2.0193 -2.0193 -1.4578 -1.4578 -1.3529 -1.3529 -1.2206 -1.2206 1.2230 1.2230 2.9451 2.9451 3.1352 3.1352 3.4852 3.4852 4.0065 4.0065 4.0875 4.0875 4.1359 4.1359 4.7481 4.7481 4.8823 4.8823 5.5131 5.5131 5.5405 5.5405 5.6057 5.6057 5.7359 5.7359 5.9599 5.9599 5.9771 5.9771 6.2028 6.2028 6.3691 6.3691 6.5617 6.5617 8.3985 8.3985 8.6060 8.6060 k = 0.1706 0.2409-0.0000 ( 3472 PWs) bands (ev): -2.2969 -2.2969 -2.0187 -2.0187 -1.4577 -1.4577 -1.3519 -1.3519 -1.2203 -1.2203 1.2691 1.2691 2.9329 2.9329 3.1182 3.1182 3.4906 3.4906 4.0148 4.0148 4.0848 4.0848 4.1375 4.1375 4.7024 4.7024 4.8202 4.8202 5.5078 5.5078 5.5330 5.5330 5.6053 5.6053 5.7272 5.7272 5.9323 5.9323 5.9545 5.9545 6.1969 6.1969 6.3631 6.3631 6.5411 6.5411 8.4435 8.4435 8.6454 8.6454 k = 0.1820 0.2570-0.0000 ( 3472 PWs) bands (ev): -2.2968 -2.2968 -2.0180 -2.0180 -1.4575 -1.4575 -1.3510 -1.3510 -1.2201 -1.2201 1.3180 1.3180 2.9192 2.9192 3.0998 3.0998 3.4958 3.4958 4.0225 4.0225 4.0820 4.0820 4.1396 4.1396 4.6574 4.6574 4.7604 4.7604 5.4944 5.4944 5.5335 5.5335 5.6057 5.6057 5.7197 5.7197 5.9063 5.9063 5.9337 5.9337 6.1915 6.1915 6.3574 6.3574 6.5216 6.5216 8.4467 8.4467 8.7191 8.7191 k = 0.1934 0.2731-0.0000 ( 3476 PWs) bands (ev): -2.2967 -2.2967 -2.0174 -2.0174 -1.4574 -1.4574 -1.3500 -1.3500 -1.2198 -1.2198 1.3696 1.3696 2.9042 2.9042 3.0800 3.0800 3.5007 3.5007 4.0288 4.0288 4.0795 4.0795 4.1425 4.1425 4.6127 4.6127 4.7042 4.7042 5.4780 5.4780 5.5372 5.5372 5.6066 5.6066 5.7134 5.7134 5.8817 5.8817 5.9142 5.9142 6.1865 6.1865 6.3518 6.3518 6.5030 6.5030 8.4227 8.4227 8.8141 8.8141 k = 0.2047 0.2891-0.0000 ( 3476 PWs) bands (ev): -2.2966 -2.2966 -2.0168 -2.0168 -1.4573 -1.4573 -1.3491 -1.3491 -1.2195 -1.2195 1.4239 1.4239 2.8877 2.8877 3.0588 3.0588 3.5051 3.5051 4.0331 4.0331 4.0782 4.0782 4.1461 4.1461 4.5679 4.5679 4.6533 4.6533 5.4613 5.4613 5.5421 5.5421 5.6079 5.6079 5.7078 5.7078 5.8585 5.8585 5.8959 5.8959 6.1820 6.1820 6.3463 6.3463 6.4852 6.4852 8.3836 8.3836 8.9193 8.9193 k = 0.2161 0.3052-0.0000 ( 3480 PWs) bands (ev): -2.2965 -2.2965 -2.0161 -2.0161 -1.4572 -1.4572 -1.3482 -1.3482 -1.2193 -1.2193 1.4808 1.4808 2.8700 2.8700 3.0361 3.0361 3.5090 3.5090 4.0346 4.0346 4.0785 4.0785 4.1505 4.1505 4.5228 4.5228 4.6086 4.6086 5.4449 5.4449 5.5475 5.5475 5.6095 5.6095 5.7027 5.7027 5.8367 5.8367 5.8787 5.8787 6.1780 6.1780 6.3409 6.3409 6.4682 6.4682 8.3341 8.3341 9.0303 9.0303 k = 0.2275 0.3213-0.0000 ( 3490 PWs) bands (ev): -2.2964 -2.2964 -2.0156 -2.0156 -1.4571 -1.4571 -1.3473 -1.3473 -1.2191 -1.2191 1.5400 1.5400 2.8511 2.8511 3.0121 3.0121 3.5125 3.5125 4.0332 4.0332 4.0803 4.0803 4.1557 4.1557 4.4781 4.4781 4.5701 4.5701 5.4290 5.4290 5.5533 5.5533 5.6114 5.6114 5.6975 5.6975 5.8165 5.8165 5.8624 5.8624 6.1744 6.1744 6.3355 6.3355 6.4518 6.4518 8.2763 8.2763 9.1452 9.1452 k = 0.2389 0.3373-0.0000 ( 3486 PWs) bands (ev): -2.2963 -2.2963 -2.0150 -2.0150 -1.4569 -1.4569 -1.3464 -1.3464 -1.2189 -1.2189 1.6015 1.6015 2.8312 2.8312 2.9869 2.9869 3.5153 3.5153 4.0298 4.0298 4.0826 4.0826 4.1618 4.1618 4.4349 4.4349 4.5371 4.5371 5.4139 5.4139 5.5594 5.5594 5.6135 5.6135 5.6919 5.6919 5.7982 5.7982 5.8470 5.8470 6.1712 6.1712 6.3301 6.3301 6.4360 6.4360 8.2111 8.2111 9.2632 9.2632 k = 0.2502 0.3534-0.0000 ( 3480 PWs) bands (ev): -2.2962 -2.2962 -2.0144 -2.0144 -1.4568 -1.4568 -1.3455 -1.3455 -1.2186 -1.2186 1.6650 1.6650 2.8105 2.8105 2.9605 2.9605 3.5175 3.5175 4.0251 4.0251 4.0845 4.0845 4.1686 4.1686 4.3948 4.3948 4.5087 4.5087 5.3995 5.3995 5.5657 5.5657 5.6157 5.6157 5.6853 5.6853 5.7822 5.7822 5.8323 5.8323 6.1685 6.1685 6.3246 6.3246 6.4208 6.4208 8.1392 8.1392 9.3839 9.3839 k = 0.2616 0.3694-0.0000 ( 3478 PWs) bands (ev): -2.2962 -2.2962 -2.0138 -2.0138 -1.4567 -1.4567 -1.3447 -1.3447 -1.2184 -1.2184 1.7303 1.7303 2.7893 2.7893 2.9332 2.9332 3.5191 3.5191 4.0197 4.0197 4.0850 4.0850 4.1760 4.1760 4.3592 4.3592 4.4840 4.4840 5.3855 5.3855 5.5722 5.5722 5.6178 5.6178 5.6774 5.6774 5.7686 5.7686 5.8185 5.8185 6.1663 6.1663 6.3190 6.3190 6.4061 6.4061 8.0613 8.0613 9.5070 9.5070 k = 0.2730 0.3855-0.0000 ( 3478 PWs) bands (ev): -2.2961 -2.2961 -2.0133 -2.0133 -1.4565 -1.4565 -1.3440 -1.3440 -1.2182 -1.2182 1.7972 1.7972 2.7680 2.7680 2.9050 2.9050 3.5201 3.5201 4.0136 4.0136 4.0835 4.0835 4.1838 4.1838 4.3291 4.3291 4.4625 4.4625 5.3718 5.3718 5.5788 5.5788 5.6198 5.6198 5.6683 5.6683 5.7576 5.7576 5.8057 5.8057 6.1646 6.1646 6.3134 6.3134 6.3920 6.3920 7.9780 7.9780 9.6321 9.6321 k = 0.2844 0.4016-0.0000 ( 3474 PWs) bands (ev): -2.2960 -2.2960 -2.0128 -2.0128 -1.4564 -1.4564 -1.3433 -1.3433 -1.2180 -1.2180 1.8651 1.8651 2.7470 2.7470 2.8761 2.8761 3.5204 3.5204 4.0071 4.0071 4.0797 4.0797 4.1919 4.1919 4.3052 4.3052 4.4436 4.4436 5.3580 5.3580 5.5852 5.5852 5.6214 5.6214 5.6584 5.6584 5.7488 5.7488 5.7941 5.7941 6.1634 6.1634 6.3075 6.3075 6.3785 6.3785 7.8902 7.8902 9.7591 9.7591 k = 0.2957 0.4176-0.0000 ( 3482 PWs) bands (ev): -2.2960 -2.2960 -2.0124 -2.0124 -1.4563 -1.4563 -1.3427 -1.3427 -1.2178 -1.2178 1.9337 1.9337 2.7269 2.7269 2.8469 2.8469 3.5200 3.5200 3.9999 3.9999 4.0738 4.0738 4.2001 4.2001 4.2879 4.2879 4.4272 4.4272 5.3436 5.3436 5.5910 5.5910 5.6220 5.6220 5.6493 5.6493 5.7415 5.7415 5.7839 5.7839 6.1626 6.1626 6.3014 6.3014 6.3656 6.3656 7.7988 7.7988 9.8875 9.8875 k = 0.3071 0.4337-0.0000 ( 3480 PWs) bands (ev): -2.2959 -2.2959 -2.0120 -2.0120 -1.4562 -1.4562 -1.3421 -1.3421 -1.2176 -1.2176 2.0022 2.0022 2.7083 2.7083 2.8176 2.8176 3.5190 3.5190 3.9915 3.9915 4.0665 4.0665 4.2082 4.2082 4.2768 4.2768 4.4130 4.4130 5.3283 5.3283 5.5950 5.5950 5.6208 5.6208 5.6432 5.6432 5.7350 5.7350 5.7756 5.7756 6.1622 6.1622 6.2948 6.2948 6.3534 6.3534 7.7048 7.7048 10.0169 10.0169 k = 0.3185 0.4498-0.0000 ( 3476 PWs) bands (ev): -2.2958 -2.2958 -2.0116 -2.0116 -1.4561 -1.4561 -1.3415 -1.3415 -1.2175 -1.2175 2.0697 2.0697 2.6922 2.6922 2.7883 2.7883 3.5173 3.5173 3.9819 3.9819 4.0589 4.0589 4.2165 4.2165 4.2710 4.2710 4.4009 4.4009 5.3116 5.3116 5.5950 5.5950 5.6189 5.6189 5.6415 5.6415 5.7290 5.7290 5.7693 5.7693 6.1622 6.1622 6.2878 6.2878 6.3421 6.3421 7.6093 7.6093 10.1464 10.1464 k = 0.3299 0.4658-0.0000 ( 3474 PWs) bands (ev): -2.2958 -2.2958 -2.0112 -2.0112 -1.4560 -1.4560 -1.3410 -1.3410 -1.2173 -1.2173 2.1350 2.1350 2.6798 2.6798 2.7595 2.7595 3.5149 3.5149 3.9707 3.9707 4.0520 4.0520 4.2252 4.2252 4.2690 4.2690 4.3907 4.3907 5.2930 5.2930 5.5897 5.5897 5.6188 5.6188 5.6428 5.6428 5.7239 5.7239 5.7649 5.7649 6.1623 6.1623 6.2801 6.2801 6.3317 6.3317 7.5135 7.5135 10.2743 10.2743 k = 0.3412 0.4819-0.0000 ( 3482 PWs) bands (ev): -2.2957 -2.2957 -2.0110 -2.0110 -1.4559 -1.4559 -1.3406 -1.3406 -1.2172 -1.2172 2.1960 2.1960 2.6728 2.6728 2.7314 2.7314 3.5117 3.5117 3.9584 3.9584 4.0464 4.0464 4.2344 4.2344 4.2696 4.2696 4.3824 4.3824 5.2720 5.2720 5.5816 5.5816 5.6195 5.6195 5.6451 5.6451 5.7203 5.7203 5.7623 5.7623 6.1623 6.1623 6.2716 6.2716 6.3225 6.3225 7.4185 7.4185 10.3969 10.3969 k = 0.3526 0.4980-0.0000 ( 3476 PWs) bands (ev): -2.2957 -2.2957 -2.0106 -2.0106 -1.4558 -1.4558 -1.3402 -1.3402 -1.2170 -1.2170 2.2501 2.2501 2.6729 2.6729 2.7051 2.7051 3.5076 3.5076 3.9454 3.9454 4.0423 4.0423 4.2445 4.2445 4.2717 4.2717 4.3760 4.3760 5.2482 5.2482 5.5730 5.5730 5.6193 5.6193 5.6474 5.6474 5.7190 5.7190 5.7610 5.7610 6.1620 6.1620 6.2625 6.2625 6.3144 6.3144 7.3257 7.3257 10.5063 10.5063 k = 0.3640 0.5140-0.0000 ( 3472 PWs) bands (ev): -2.2957 -2.2957 -2.0104 -2.0104 -1.4558 -1.4558 -1.3398 -1.3398 -1.2169 -1.2169 2.2945 2.2945 2.6712 2.6712 2.6926 2.6926 3.5025 3.5025 3.9322 3.9322 4.0394 4.0394 4.2554 4.2554 4.2751 4.2751 4.3714 4.3714 5.2214 5.2214 5.5649 5.5649 5.6178 5.6178 5.6488 5.6488 5.7206 5.7206 5.7609 5.7609 6.1609 6.1609 6.2529 6.2529 6.3074 6.3074 7.2362 7.2362 10.5922 10.5922 k = 0.3754 0.5301-0.0000 ( 3474 PWs) bands (ev): -2.2957 -2.2957 -2.0102 -2.0102 -1.4557 -1.4557 -1.3395 -1.3395 -1.2168 -1.2168 2.3268 2.3268 2.6495 2.6495 2.7142 2.7142 3.4964 3.4964 3.9195 3.9195 4.0375 4.0375 4.2660 4.2660 4.2806 4.2806 4.3683 4.3683 5.1911 5.1911 5.5574 5.5574 5.6151 5.6151 5.6490 5.6490 5.7248 5.7248 5.7623 5.7623 6.1582 6.1582 6.2436 6.2436 6.3014 6.3014 7.1513 7.1513 10.6566 10.6566 k = 0.3754 0.5301-0.0000 ( 3474 PWs) bands (ev): -2.2957 -2.2957 -2.0102 -2.0102 -1.4557 -1.4557 -1.3395 -1.3395 -1.2168 -1.2168 2.3268 2.3268 2.6495 2.6495 2.7142 2.7142 3.4964 3.4964 3.9195 3.9195 4.0375 4.0375 4.2660 4.2660 4.2806 4.2806 4.3683 4.3683 5.1911 5.1911 5.5574 5.5574 5.6151 5.6151 5.6490 5.6490 5.7248 5.7248 5.7623 5.7623 6.1582 6.1582 6.2436 6.2436 6.3014 6.3014 7.1513 7.1513 10.6566 10.6566 k = 0.3556 0.5301-0.0000 ( 3472 PWs) bands (ev): -2.2957 -2.2957 -2.0103 -2.0103 -1.4557 -1.4557 -1.3397 -1.3397 -1.2169 -1.2169 2.3044 2.3044 2.6367 2.6367 2.7305 2.7305 3.5000 3.5000 3.9271 3.9271 4.0385 4.0385 4.2575 4.2575 4.2802 4.2802 4.3709 4.3709 5.2086 5.2086 5.5616 5.5616 5.6170 5.6170 5.6489 5.6489 5.7234 5.7234 5.7617 5.7617 6.1600 6.1600 6.2477 6.2477 6.3063 6.3063 7.2014 7.2014 10.5426 10.5426 k = 0.3358 0.5301-0.0000 ( 3474 PWs) bands (ev): -2.2957 -2.2957 -2.0105 -2.0105 -1.4558 -1.4558 -1.3400 -1.3400 -1.2169 -1.2169 2.2729 2.2729 2.5976 2.5976 2.7827 2.7827 3.5033 3.5033 3.9356 3.9356 4.0399 4.0399 4.2479 4.2479 4.2831 4.2831 4.3758 4.3758 5.2233 5.2233 5.5660 5.5660 5.6180 5.6180 5.6495 5.6495 5.7252 5.7252 5.7630 5.7630 6.1610 6.1610 6.2494 6.2494 6.3145 6.3145 7.2564 7.2564 10.3581 10.3581 k = 0.3161 0.5301-0.0000 ( 3471 PWs) bands (ev): -2.2957 -2.2957 -2.0107 -2.0107 -1.4558 -1.4558 -1.3403 -1.3403 -1.2170 -1.2170 2.2376 2.2376 2.5554 2.5554 2.8421 2.8421 3.5064 3.5064 3.9447 3.9447 4.0416 4.0416 4.2395 4.2395 4.2867 4.2867 4.3831 4.3831 5.2348 5.2348 5.5703 5.5703 5.6164 5.6164 5.6526 5.6526 5.7288 5.7288 5.7676 5.7676 6.1617 6.1617 6.2492 6.2492 6.3251 6.3251 7.3161 7.3161 10.1634 10.1634 k = 0.2963 0.5301-0.0000 ( 3470 PWs) bands (ev): -2.2958 -2.2958 -2.0110 -2.0110 -1.4559 -1.4559 -1.3407 -1.3407 -1.2171 -1.2171 2.2013 2.2013 2.5136 2.5136 2.9022 2.9022 3.5095 3.5095 3.9542 3.9542 4.0438 4.0438 4.2328 4.2328 4.2906 4.2906 4.3931 4.3931 5.2429 5.2429 5.5741 5.5741 5.6122 5.6122 5.6586 5.6586 5.7320 5.7320 5.7776 5.7776 6.1622 6.1622 6.2477 6.2477 6.3371 6.3371 7.3802 7.3802 9.9705 9.9705 k = 0.2766 0.5301-0.0000 ( 3474 PWs) bands (ev): -2.2958 -2.2958 -2.0113 -2.0113 -1.4560 -1.4560 -1.3411 -1.3411 -1.2173 -1.2173 2.1653 2.1653 2.4731 2.4731 2.9602 2.9602 3.5129 3.5129 3.9636 3.9636 4.0465 4.0465 4.2278 4.2278 4.2946 4.2946 4.4061 4.4061 5.2476 5.2476 5.5769 5.5769 5.6074 5.6074 5.6662 5.6662 5.7337 5.7337 5.7940 5.7940 6.1625 6.1625 6.2453 6.2453 6.3500 6.3500 7.4480 7.4480 9.7832 9.7832 k = 0.2568 0.5301-0.0000 ( 3475 PWs) bands (ev): -2.2958 -2.2958 -2.0116 -2.0116 -1.4561 -1.4561 -1.3415 -1.3415 -1.2174 -1.2174 2.1306 2.1306 2.4343 2.4343 3.0144 3.0144 3.5167 3.5167 3.9725 3.9725 4.0498 4.0498 4.2245 4.2245 4.2985 4.2985 4.4229 4.4229 5.2490 5.2490 5.5774 5.5774 5.6040 5.6040 5.6743 5.6743 5.7337 5.7337 5.8165 5.8165 6.1629 6.1629 6.2425 6.2425 6.3633 6.3633 7.5181 7.5181 9.6042 9.6042 k = 0.2371 0.5301-0.0000 ( 3469 PWs) bands (ev): -2.2959 -2.2959 -2.0119 -2.0119 -1.4561 -1.4561 -1.3420 -1.3420 -1.2175 -1.2175 2.0977 2.0977 2.3976 2.3976 3.0638 3.0638 3.5211 3.5211 3.9806 3.9806 4.0536 4.0536 4.2227 4.2227 4.3020 4.3020 4.4438 4.4438 5.2474 5.2474 5.5747 5.5747 5.6038 5.6038 5.6822 5.6822 5.7328 5.7328 5.8442 5.8442 6.1634 6.1634 6.2393 6.2393 6.3769 6.3769 7.5887 7.5887 9.4364 9.4364 k = 0.2173 0.5301-0.0000 ( 3467 PWs) bands (ev): -2.2959 -2.2959 -2.0122 -2.0122 -1.4562 -1.4562 -1.3424 -1.3424 -1.2177 -1.2177 2.0668 2.0668 2.3631 2.3631 3.1076 3.1076 3.5260 3.5260 3.9874 3.9874 4.0577 4.0577 4.2225 4.2225 4.3049 4.3049 4.4692 4.4692 5.2432 5.2432 5.5694 5.5694 5.6064 5.6064 5.6898 5.6898 5.7313 5.7313 5.8759 5.8759 6.1643 6.1643 6.2360 6.2360 6.3908 6.3908 7.6564 7.6564 9.2834 9.2834 k = 0.1976 0.5301-0.0000 ( 3465 PWs) bands (ev): -2.2959 -2.2959 -2.0125 -2.0125 -1.4563 -1.4563 -1.3429 -1.3429 -1.2178 -1.2178 2.0381 2.0381 2.3311 2.3311 3.1456 3.1456 3.5316 3.5316 3.9929 3.9929 4.0620 4.0620 4.2236 4.2236 4.3071 4.3071 4.4992 4.4992 5.2366 5.2366 5.5631 5.5631 5.6105 5.6105 5.6969 5.6969 5.7293 5.7293 5.9109 5.9109 6.1655 6.1655 6.2326 6.2326 6.4049 6.4049 7.7164 7.7164 9.1505 9.1505 k = 0.1778 0.5301-0.0000 ( 3466 PWs) bands (ev): -2.2960 -2.2960 -2.0128 -2.0128 -1.4564 -1.4564 -1.3433 -1.3433 -1.2179 -1.2179 2.0119 2.0119 2.3018 2.3018 3.1776 3.1776 3.5377 3.5377 3.9972 3.9972 4.0660 4.0660 4.2258 4.2258 4.3085 4.3085 4.5333 4.5333 5.2280 5.2280 5.5567 5.5567 5.6154 5.6154 5.7034 5.7034 5.7272 5.7272 5.9482 5.9482 6.1672 6.1672 6.2294 6.2294 6.4195 6.4195 7.7619 7.7619 9.0451 9.0451 k = 0.1580 0.5301-0.0000 ( 3466 PWs) bands (ev): -2.2960 -2.2960 -2.0131 -2.0131 -1.4564 -1.4564 -1.3438 -1.3438 -1.2180 -1.2180 1.9883 1.9883 2.2752 2.2752 3.2041 3.2041 3.5440 3.5440 4.0004 4.0004 4.0696 4.0696 4.2290 4.2290 4.3091 4.3091 4.5707 4.5707 5.2174 5.2174 5.5506 5.5506 5.6206 5.6206 5.7090 5.7090 5.7251 5.7251 5.9867 5.9867 6.1697 6.1697 6.2267 6.2267 6.4350 6.4350 7.7848 7.7848 8.9759 8.9759 k = 0.1383 0.5301-0.0000 ( 3460 PWs) bands (ev): -2.2960 -2.2960 -2.0134 -2.0134 -1.4565 -1.4565 -1.3442 -1.3442 -1.2181 -1.2181 1.9673 1.9673 2.2515 2.2515 3.2255 3.2255 3.5504 3.5504 4.0027 4.0027 4.0726 4.0726 4.2329 4.2329 4.3088 4.3088 4.6104 4.6104 5.2053 5.2053 5.5449 5.5449 5.6260 5.6260 5.7131 5.7131 5.7239 5.7239 6.0247 6.0247 6.1732 6.1732 6.2250 6.2250 6.4519 6.4519 7.7787 7.7787 8.9500 8.9500 k = 0.1185 0.5301-0.0000 ( 3463 PWs) bands (ev): -2.2961 -2.2961 -2.0137 -2.0137 -1.4566 -1.4566 -1.3446 -1.3446 -1.2182 -1.2182 1.9490 1.9490 2.2308 2.2308 3.2424 3.2424 3.5565 3.5565 4.0044 4.0044 4.0750 4.0750 4.2371 4.2371 4.3079 4.3079 4.6507 4.6507 5.1919 5.1919 5.5399 5.5399 5.6314 5.6314 5.7140 5.7140 5.7251 5.7251 6.0598 6.0598 6.1775 6.1775 6.2254 6.2254 6.4708 6.4708 7.7432 7.7432 8.9688 8.9688 k = 0.0988 0.5301-0.0000 ( 3464 PWs) bands (ev): -2.2961 -2.2961 -2.0139 -2.0139 -1.4566 -1.4566 -1.3449 -1.3449 -1.2183 -1.2183 1.9334 1.9334 2.2131 2.2131 3.2555 3.2555 3.5621 3.5621 4.0057 4.0057 4.0769 4.0769 4.2416 4.2416 4.3064 4.3064 4.6902 4.6902 5.1776 5.1776 5.5356 5.5356 5.6366 5.6366 5.7123 5.7123 5.7282 5.7282 6.0890 6.0890 6.1821 6.1821 6.2297 6.2297 6.4924 6.4924 7.6851 7.6851 9.0270 9.0270 k = 0.0790 0.5301-0.0000 ( 3457 PWs) bands (ev): -2.2961 -2.2961 -2.0141 -2.0141 -1.4567 -1.4567 -1.3452 -1.3452 -1.2184 -1.2184 1.9207 1.9207 2.1986 2.1986 3.2653 3.2653 3.5669 3.5669 4.0065 4.0065 4.0783 4.0783 4.2461 4.2461 4.3045 4.3045 4.7271 4.7271 5.1631 5.1631 5.5321 5.5321 5.6414 5.6414 5.7099 5.7099 5.7314 5.7314 6.1103 6.1103 6.1855 6.1855 6.2392 6.2392 6.5169 6.5169 7.6153 7.6153 9.1158 9.1158 k = 0.0593 0.5301-0.0000 ( 3452 PWs) bands (ev): -2.2961 -2.2961 -2.0142 -2.0142 -1.4567 -1.4567 -1.3454 -1.3454 -1.2184 -1.2184 1.9107 1.9107 2.1872 2.1872 3.2724 3.2724 3.5708 3.5708 4.0071 4.0071 4.0794 4.0794 4.2502 4.2502 4.3024 4.3024 4.7594 4.7594 5.1492 5.1492 5.5293 5.5293 5.6456 5.6456 5.7074 5.7074 5.7341 5.7341 6.1240 6.1240 6.1869 6.1869 6.2523 6.2523 6.5433 6.5433 7.5450 7.5450 9.2271 9.2271 k = 0.0395 0.5301-0.0000 ( 3450 PWs) bands (ev): -2.2962 -2.2962 -2.0143 -2.0143 -1.4567 -1.4567 -1.3455 -1.3455 -1.2185 -1.2185 1.9036 1.9036 2.1791 2.1791 3.2772 3.2772 3.5737 3.5737 4.0074 4.0074 4.0800 4.0800 4.2536 4.2536 4.3004 4.3004 4.7850 4.7850 5.1374 5.1374 5.5273 5.5273 5.6489 5.6489 5.7053 5.7053 5.7362 5.7362 6.1319 6.1319 6.1871 6.1871 6.2648 6.2648 6.5684 6.5684 7.4844 7.4844 9.3540 9.3540 k = 0.0198 0.5301-0.0000 ( 3455 PWs) bands (ev): -2.2962 -2.2962 -2.0144 -2.0144 -1.4567 -1.4567 -1.3456 -1.3456 -1.2185 -1.2185 1.8993 1.8993 2.1742 2.1742 3.2800 3.2800 3.5755 3.5755 4.0076 4.0076 4.0804 4.0804 4.2559 4.2559 4.2990 4.2990 4.8016 4.8016 5.1293 5.1293 5.5261 5.5261 5.6511 5.6511 5.7038 5.7038 5.7375 5.7375 6.1361 6.1361 6.1868 6.1868 6.2733 6.2733 6.5872 6.5872 7.4430 7.4430 9.4880 9.4880 k = 0.0000 0.5301-0.0000 ( 3462 PWs) bands (ev): -2.2962 -2.2962 -2.0144 -2.0144 -1.4567 -1.4567 -1.3457 -1.3457 -1.2185 -1.2185 1.8979 1.8979 2.1726 2.1726 3.2809 3.2809 3.5761 3.5761 4.0077 4.0077 4.0806 4.0806 4.2567 4.2567 4.2985 4.2985 4.8074 4.8074 5.1264 5.1264 5.5257 5.5257 5.6518 5.6518 5.7033 5.7033 5.7379 5.7379 6.1374 6.1374 6.1867 6.1867 6.2763 6.2763 6.5943 6.5943 7.4282 7.4282 9.5799 9.5799 k = 0.0000 0.5301-0.0000 ( 3462 PWs) bands (ev): -2.2962 -2.2962 -2.0144 -2.0144 -1.4567 -1.4567 -1.3457 -1.3457 -1.2185 -1.2185 1.8979 1.8979 2.1726 2.1726 3.2809 3.2809 3.5761 3.5761 4.0077 4.0077 4.0806 4.0806 4.2567 4.2567 4.2985 4.2985 4.8074 4.8074 5.1264 5.1264 5.5257 5.5257 5.6518 5.6518 5.7033 5.7033 5.7379 5.7379 6.1374 6.1374 6.1867 6.1867 6.2763 6.2763 6.5943 6.5943 7.4282 7.4282 9.5799 9.5799 k = 0.0000 0.5301 0.0197 ( 3468 PWs) bands (ev): -2.2957 -2.2957 -2.0145 -2.0145 -1.4569 -1.4569 -1.3456 -1.3456 -1.2189 -1.2189 1.8994 1.8994 2.1746 2.1746 3.2828 3.2828 3.5776 3.5776 4.0081 4.0081 4.0809 4.0809 4.2567 4.2567 4.2983 4.2983 4.8071 4.8071 5.1251 5.1251 5.5252 5.5252 5.6517 5.6517 5.7034 5.7034 5.7383 5.7383 6.1366 6.1366 6.1864 6.1864 6.2727 6.2727 6.5974 6.5974 7.4288 7.4288 9.5817 9.5817 k = 0.0000 0.5301 0.0395 ( 3466 PWs) bands (ev): -2.2941 -2.2941 -2.0145 -2.0145 -1.4573 -1.4573 -1.3454 -1.3454 -1.2199 -1.2199 1.9038 1.9038 2.1807 2.1807 3.2883 3.2883 3.5820 3.5820 4.0095 4.0095 4.0819 4.0819 4.2569 4.2569 4.2977 4.2977 4.8060 4.8060 5.1215 5.1215 5.5239 5.5239 5.6516 5.6516 5.7037 5.7037 5.7395 5.7395 6.1342 6.1342 6.1856 6.1856 6.2623 6.2623 6.6064 6.6064 7.4306 7.4306 9.5871 9.5871 k = 0.0000 0.5301 0.0592 ( 3462 PWs) bands (ev): -2.2914 -2.2914 -2.0145 -2.0145 -1.4580 -1.4580 -1.3451 -1.3451 -1.2216 -1.2216 1.9111 1.9111 2.1909 2.1909 3.2975 3.2975 3.5894 3.5894 4.0117 4.0117 4.0837 4.0837 4.2572 4.2572 4.2968 4.2968 4.8043 4.8043 5.1155 5.1155 5.5218 5.5218 5.6513 5.6513 5.7037 5.7037 5.7418 5.7418 6.1303 6.1303 6.1841 6.1841 6.2463 6.2463 6.6203 6.6203 7.4337 7.4337 9.5962 9.5962 k = 0.0000 0.5301 0.0789 ( 3456 PWs) bands (ev): -2.2877 -2.2877 -2.0145 -2.0145 -1.4590 -1.4590 -1.3446 -1.3446 -1.2239 -1.2239 1.9214 1.9214 2.2051 2.2051 3.3104 3.3104 3.5996 3.5996 4.0147 4.0147 4.0861 4.0861 4.2575 4.2575 4.2955 4.2955 4.8020 4.8020 5.1074 5.1074 5.5188 5.5188 5.6510 5.6510 5.7032 5.7032 5.7452 5.7452 6.1249 6.1249 6.1818 6.1818 6.2261 6.2261 6.6381 6.6381 7.4379 7.4379 9.6089 9.6089 k = 0.0000 0.5301 0.0987 ( 3470 PWs) bands (ev): -2.2830 -2.2830 -2.0146 -2.0146 -1.4602 -1.4602 -1.3441 -1.3441 -1.2270 -1.2270 1.9346 1.9346 2.2233 2.2233 3.3268 3.3268 3.6127 3.6127 4.0184 4.0184 4.0892 4.0892 4.2578 4.2578 4.2939 4.2939 4.7992 4.7992 5.0974 5.0974 5.5152 5.5152 5.6504 5.6504 5.7021 5.7021 5.7498 5.7498 6.1182 6.1182 6.1774 6.1774 6.2043 6.2043 6.6586 6.6586 7.4434 7.4434 9.6252 9.6252 k = 0.0000 0.5301 0.1184 ( 3470 PWs) bands (ev): -2.2774 -2.2774 -2.0147 -2.0147 -1.4616 -1.4616 -1.3434 -1.3434 -1.2306 -1.2306 1.9507 1.9507 2.2455 2.2455 3.3467 3.3467 3.6286 3.6286 4.0228 4.0228 4.0931 4.0931 4.2581 4.2581 4.2921 4.2921 4.7959 4.7959 5.0856 5.0856 5.5109 5.5109 5.6496 5.6496 5.7005 5.7005 5.7553 5.7553 6.1102 6.1102 6.1647 6.1647 6.1881 6.1881 6.6813 6.6813 7.4500 7.4500 9.6453 9.6453 k = 0.0000 0.5301 0.1381 ( 3474 PWs) bands (ev): -2.2709 -2.2709 -2.0148 -2.0148 -1.4631 -1.4631 -1.3426 -1.3426 -1.2349 -1.2349 1.9696 1.9696 2.2716 2.2716 3.3699 3.3699 3.6471 3.6471 4.0277 4.0277 4.0976 4.0976 4.2582 4.2582 4.2900 4.2900 4.7924 4.7924 5.0724 5.0724 5.5061 5.5061 5.6482 5.6482 5.6985 5.6985 5.7614 5.7614 6.1007 6.1007 6.1407 6.1407 6.1818 6.1818 6.7055 6.7055 7.4578 7.4578 9.6689 9.6689 k = 0.0000 0.5301 0.1579 ( 3480 PWs) bands (ev): -2.2635 -2.2635 -2.0149 -2.0149 -1.4648 -1.4648 -1.3417 -1.3417 -1.2397 -1.2397 1.9914 1.9914 2.3015 2.3015 3.3965 3.3965 3.6682 3.6682 4.0330 4.0330 4.1029 4.1029 4.2580 4.2580 4.2880 4.2880 4.7887 4.7887 5.0581 5.0581 5.5010 5.5010 5.6462 5.6462 5.6964 5.6964 5.7677 5.7677 6.0882 6.0882 6.1150 6.1150 6.1784 6.1784 6.7309 6.7309 7.4667 7.4667 9.6962 9.6962 k = 0.0000 0.5301 0.1776 ( 3482 PWs) bands (ev): -2.2554 -2.2554 -2.0150 -2.0150 -1.4664 -1.4664 -1.3407 -1.3407 -1.2451 -1.2451 2.0160 2.0160 2.3353 2.3353 3.4261 3.4261 3.6917 3.6917 4.0386 4.0386 4.1088 4.1088 4.2574 4.2574 4.2862 4.2862 4.7850 4.7850 5.0429 5.0429 5.4956 5.4956 5.6434 5.6434 5.6942 5.6942 5.7738 5.7738 6.0676 6.0676 6.0955 6.0955 6.1757 6.1757 6.7574 6.7574 7.4767 7.4767 9.7271 9.7271 k = 0.0000 0.5301 0.1973 ( 3480 PWs) bands (ev): -2.2467 -2.2467 -2.0152 -2.0152 -1.4681 -1.4681 -1.3395 -1.3395 -1.2509 -1.2509 2.0433 2.0433 2.3727 2.3727 3.4587 3.4587 3.7174 3.7174 4.0442 4.0442 4.1154 4.1154 4.2560 4.2560 4.2847 4.2847 4.7816 4.7816 5.0272 5.0272 5.4901 5.4901 5.6398 5.6398 5.6921 5.6921 5.7792 5.7792 6.0390 6.0390 6.0834 6.0834 6.1736 6.1736 6.7848 6.7848 7.4878 7.4878 9.7617 9.7617 k = 0.0000 0.5301 0.2171 ( 3476 PWs) bands (ev): -2.2374 -2.2374 -2.0154 -2.0154 -1.4696 -1.4696 -1.3383 -1.3383 -1.2573 -1.2573 2.0734 2.0734 2.4138 2.4138 3.4939 3.4939 3.7451 3.7451 4.0498 4.0498 4.1227 4.1227 4.2538 4.2538 4.2840 4.2840 4.7786 4.7786 5.0112 5.0112 5.4848 5.4848 5.6353 5.6353 5.6900 5.6900 5.7836 5.7836 6.0078 6.0078 6.0745 6.0745 6.1719 6.1719 6.8132 6.8132 7.5000 7.5000 9.7997 9.7997 k = 0.0000 0.5301 0.2368 ( 3476 PWs) bands (ev): -2.2276 -2.2276 -2.0157 -2.0157 -1.4709 -1.4709 -1.3370 -1.3370 -1.2640 -1.2640 2.1061 2.1061 2.4584 2.4584 3.5316 3.5316 3.7744 3.7744 4.0552 4.0552 4.1304 4.1304 4.2508 4.2508 4.2841 4.2841 4.7763 4.7763 4.9953 4.9953 5.4797 5.4797 5.6302 5.6302 5.6878 5.6878 5.7863 5.7863 5.9761 5.9761 6.0674 6.0674 6.1707 6.1707 6.8424 6.8424 7.5133 7.5133 9.8414 9.8414 k = 0.0000 0.5301 0.2565 ( 3472 PWs) bands (ev): -2.2174 -2.2174 -2.0160 -2.0160 -1.4720 -1.4720 -1.3356 -1.3356 -1.2712 -1.2712 2.1415 2.1415 2.5064 2.5064 3.5715 3.5715 3.8050 3.8050 4.0602 4.0602 4.1385 4.1385 4.2471 4.2471 4.2851 4.2851 4.7749 4.7749 4.9799 4.9799 5.4751 5.4751 5.6244 5.6244 5.6854 5.6854 5.7868 5.7868 5.9449 5.9449 6.0621 6.0621 6.1702 6.1702 6.8725 6.8725 7.5276 7.5276 9.8865 9.8865 k = 0.0000 0.5301 0.2763 ( 3472 PWs) bands (ev): -2.2071 -2.2071 -2.0163 -2.0163 -1.4727 -1.4727 -1.3341 -1.3341 -1.2787 -1.2787 2.1794 2.1794 2.5576 2.5576 3.6132 3.6132 3.8364 3.8364 4.0647 4.0647 4.1467 4.1467 4.2431 4.2431 4.2869 4.2869 4.7749 4.7749 4.9653 4.9653 5.4713 5.4713 5.6181 5.6181 5.6828 5.6828 5.7844 5.7844 5.9150 5.9150 6.0589 6.0589 6.1704 6.1704 6.9037 6.9037 7.5431 7.5431 9.9351 9.9351 k = 0.0000 0.5301 0.2960 ( 3474 PWs) bands (ev): -2.1966 -2.1966 -2.0167 -2.0167 -1.4730 -1.4730 -1.3327 -1.3327 -1.2865 -1.2865 2.2198 2.2198 2.6119 2.6119 3.6562 3.6562 3.8679 3.8679 4.0686 4.0686 4.1545 4.1545 4.2395 4.2395 4.2897 4.2897 4.7763 4.7763 4.9519 4.9519 5.4684 5.4684 5.6112 5.6112 5.6798 5.6798 5.7783 5.7783 5.8876 5.8876 6.0580 6.0580 6.1713 6.1713 6.9360 6.9360 7.5598 7.5598 9.9871 9.9871 k = 0.0000 0.5301 0.3157 ( 3478 PWs) bands (ev): -2.1862 -2.1862 -2.0172 -2.0172 -1.4728 -1.4728 -1.3312 -1.3312 -1.2945 -1.2945 2.2627 2.2627 2.6691 2.6691 3.7000 3.7000 3.8989 3.8989 4.0719 4.0719 4.1614 4.1614 4.2370 4.2370 4.2934 4.2934 4.7796 4.7796 4.9403 4.9403 5.4667 5.4667 5.6038 5.6038 5.6765 5.6765 5.7677 5.7677 5.8638 5.8638 6.0593 6.0593 6.1731 6.1731 6.9695 6.9695 7.5776 7.5776 10.0424 10.0424 k = 0.0000 0.5301 0.3355 ( 3478 PWs) bands (ev): -2.1759 -2.1759 -2.0178 -2.0178 -1.4719 -1.4719 -1.3298 -1.3298 -1.3025 -1.3025 2.3079 2.3079 2.7290 2.7290 3.7442 3.7442 3.9283 3.9283 4.0747 4.0747 4.1664 4.1664 4.2369 4.2369 4.2981 4.2981 4.7851 4.7851 4.9309 4.9309 5.4664 5.4664 5.5958 5.5958 5.6728 5.6728 5.7523 5.7523 5.8445 5.8445 6.0629 6.0629 6.1757 6.1757 7.0043 7.0043 7.5968 7.5968 10.1011 10.1011 k = 0.0000 0.5301 0.3552 ( 3476 PWs) bands (ev): -2.1659 -2.1659 -2.0184 -2.0184 -1.4703 -1.4703 -1.3288 -1.3288 -1.3102 -1.3102 2.3553 2.3553 2.7914 2.7914 3.7878 3.7878 3.9551 3.9551 4.0770 4.0770 4.1685 4.1685 4.2404 4.2404 4.3040 4.3040 4.7929 4.7929 4.9244 4.9244 5.4678 5.4678 5.5871 5.5871 5.6688 5.6688 5.7330 5.7330 5.8296 5.8296 6.0686 6.0686 6.1793 6.1793 7.0406 7.0406 7.6175 7.6175 10.1631 10.1631 k = 0.0000 0.5301 0.3749 ( 3484 PWs) bands (ev): -2.1564 -2.1564 -2.0191 -2.0191 -1.4679 -1.4679 -1.3294 -1.3294 -1.3166 -1.3166 2.4050 2.4050 2.8559 2.8559 3.8303 3.8303 3.9779 3.9779 4.0792 4.0792 4.1677 4.1677 4.2480 4.2480 4.3111 4.3111 4.8033 4.8033 4.9214 4.9214 5.4711 5.4711 5.5776 5.5776 5.6644 5.6644 5.7118 5.7118 5.8180 5.8180 6.0760 6.0760 6.1837 6.1837 7.0786 7.0786 7.6397 7.6397 10.2283 10.2283 k = 0.0000 0.5301 0.3947 ( 3484 PWs) bands (ev): -2.1473 -2.1473 -2.0199 -2.0199 -1.4647 -1.4647 -1.3337 -1.3337 -1.3192 -1.3192 2.4566 2.4566 2.9222 2.9222 3.8705 3.8705 3.9954 3.9954 4.0820 4.0820 4.1650 4.1650 4.2590 4.2590 4.3197 4.3197 4.8165 4.8165 4.9228 4.9228 5.4763 5.4763 5.5672 5.5672 5.6595 5.6595 5.6910 5.6910 5.8086 5.8086 6.0850 6.0850 6.1891 6.1891 7.1183 7.1183 7.6636 7.6636 10.2966 10.2966 k = 0.0000 0.5301 0.4144 ( 3486 PWs) bands (ev): -2.1390 -2.1390 -2.0208 -2.0208 -1.4605 -1.4605 -1.3410 -1.3410 -1.3189 -1.3189 2.5102 2.5102 2.9900 2.9900 3.9075 3.9075 4.0069 4.0069 4.0854 4.0854 4.1615 4.1615 4.2722 4.2722 4.3298 4.3298 4.8323 4.8323 4.9294 4.9294 5.4832 5.4832 5.5560 5.5560 5.6530 5.6530 5.6733 5.6733 5.8009 5.8009 6.0954 6.0954 6.1954 6.1954 7.1601 7.1601 7.6895 7.6895 10.3681 10.3681 k = 0.0000 0.5301 0.4341 ( 3482 PWs) bands (ev): -2.1313 -2.1313 -2.0217 -2.0217 -1.4553 -1.4553 -1.3493 -1.3493 -1.3175 -1.3175 2.5656 2.5656 3.0588 3.0588 3.9398 3.9398 4.0125 4.0125 4.0895 4.0895 4.1587 4.1587 4.2865 4.2865 4.3417 4.3417 4.8507 4.8507 4.9419 4.9419 5.4906 5.4906 5.5454 5.5454 5.6425 5.6425 5.6626 5.6626 5.7946 5.7946 6.1068 6.1068 6.2026 6.2026 7.2040 7.2040 7.7175 7.7175 10.4425 10.4425 k = 0.0000 0.5301 0.4539 ( 3482 PWs) bands (ev): -2.1244 -2.1244 -2.0228 -2.0228 -1.4492 -1.4492 -1.3579 -1.3579 -1.3158 -1.3158 2.6226 2.6226 3.1280 3.1280 3.9660 3.9660 4.0136 4.0136 4.0936 4.0936 4.1573 4.1573 4.3007 4.3007 4.3554 4.3554 4.8717 4.8717 4.9605 4.9605 5.4943 5.4943 5.5397 5.5397 5.6298 5.6298 5.6579 5.6579 5.7894 5.7894 6.1192 6.1192 6.2107 6.2107 7.2504 7.2504 7.7479 7.7479 10.5199 10.5199 k = 0.0000 0.5301 0.4736 ( 3480 PWs) bands (ev): -2.1184 -2.1184 -2.0239 -2.0239 -1.4420 -1.4420 -1.3664 -1.3664 -1.3140 -1.3140 2.6811 2.6811 3.1971 3.1971 3.9839 3.9839 4.0125 4.0125 4.0977 4.0977 4.1575 4.1575 4.3145 4.3145 4.3706 4.3706 4.8955 4.8955 4.9851 4.9851 5.4883 5.4883 5.5450 5.5450 5.6187 5.6187 5.6564 5.6564 5.7853 5.7853 6.1323 6.1323 6.2198 6.2198 7.2995 7.2995 7.7811 7.7811 10.6000 10.6000 k = 0.0000 0.5301 0.4933 ( 3480 PWs) bands (ev): -2.1133 -2.1133 -2.0251 -2.0251 -1.4340 -1.4340 -1.3750 -1.3750 -1.3121 -1.3121 2.7408 2.7408 3.2653 3.2653 3.9907 3.9907 4.0127 4.0127 4.1025 4.1025 4.1589 4.1589 4.3277 4.3277 4.3868 4.3868 4.9223 4.9223 5.0146 5.0146 5.4753 5.4753 5.5585 5.5585 5.6108 5.6108 5.6576 5.6576 5.7825 5.7825 6.1462 6.1462 6.2299 6.2299 7.3514 7.3514 7.8173 7.8173 10.6826 10.6826 k = 0.0000 0.5301 0.5130 ( 3486 PWs) bands (ev): -2.1092 -2.1092 -2.0264 -2.0264 -1.4251 -1.4251 -1.3833 -1.3833 -1.3101 -1.3101 2.8015 2.8015 3.3317 3.3317 3.9877 3.9877 4.0142 4.0142 4.1081 4.1081 4.1608 4.1608 4.3408 4.3408 4.4035 4.4035 4.9521 4.9521 5.0477 5.0477 5.4604 5.4604 5.5724 5.5724 5.6090 5.6090 5.6625 5.6625 5.7810 5.7810 6.1608 6.1608 6.2411 6.2411 7.4066 7.4066 7.8569 7.8569 10.7673 10.7673 k = 0.0000 0.5301 0.5328 ( 3488 PWs) bands (ev): -2.1058 -2.1058 -2.0278 -2.0278 -1.4156 -1.4156 -1.3913 -1.3913 -1.3082 -1.3082 2.8630 2.8630 3.3953 3.3953 3.9801 3.9801 4.0143 4.0143 4.1136 4.1136 4.1625 4.1625 4.3543 4.3543 4.4201 4.4201 4.9847 4.9847 5.0824 5.0824 5.4464 5.4464 5.5787 5.5787 5.6176 5.6176 5.6730 5.6730 5.7812 5.7812 6.1759 6.1759 6.2534 6.2534 7.4654 7.4654 7.9002 7.9002 10.8534 10.8534 k = 0.0000 0.5301 0.5525 ( 3488 PWs) bands (ev): -2.1034 -2.1034 -2.0292 -2.0292 -1.4072 -1.4072 -1.3972 -1.3972 -1.3063 -1.3063 2.9249 2.9249 3.4549 3.4549 3.9706 3.9706 4.0130 4.0130 4.1184 4.1184 4.1637 4.1637 4.3687 4.3687 4.4367 4.4367 5.0195 5.0195 5.1165 5.1165 5.4349 5.4349 5.5788 5.5788 5.6325 5.6325 5.6908 5.6908 5.7840 5.7840 6.1918 6.1918 6.2672 6.2672 7.5279 7.5279 7.9476 7.9476 10.9389 10.9389 k = 0.0000 0.5301 0.5722 ( 3484 PWs) bands (ev): -2.1017 -2.1017 -2.0307 -2.0307 -1.4095 -1.4095 -1.3915 -1.3915 -1.3043 -1.3043 2.9869 2.9869 3.5091 3.5091 3.9599 3.9599 4.0116 4.0116 4.1216 4.1216 4.1640 4.1640 4.3847 4.3847 4.4533 4.4533 5.0555 5.0555 5.1474 5.1474 5.4276 5.4276 5.5778 5.5778 5.6481 5.6481 5.7141 5.7141 5.7921 5.7921 6.2083 6.2083 6.2825 6.2825 7.5946 7.5946 7.9995 7.9995 11.0144 11.0144 k = 0.0000 0.5301 0.5920 ( 3488 PWs) bands (ev): -2.1008 -2.1008 -2.0323 -2.0323 -1.4165 -1.4165 -1.3803 -1.3803 -1.3024 -1.3024 3.0486 3.0486 3.5569 3.5569 3.9484 3.9484 4.0113 4.0113 4.1230 4.1230 4.1638 4.1638 4.4029 4.4029 4.4701 4.4701 5.0916 5.0916 5.1727 5.1727 5.4260 5.4260 5.5775 5.5775 5.6647 5.6647 5.7361 5.7361 5.8105 5.8105 6.2255 6.2255 6.2999 6.2999 7.6658 7.6658 8.0564 8.0564 10.9942 10.9942 k = 0.0000 0.5301 0.6117 ( 3492 PWs) bands (ev): -2.1005 -2.1005 -2.0339 -2.0339 -1.4236 -1.4236 -1.3683 -1.3683 -1.3006 -1.3006 3.1096 3.1096 3.5970 3.5970 3.9366 3.9366 4.0126 4.0126 4.1225 4.1225 4.1633 4.1633 4.4237 4.4237 4.4875 4.4875 5.1265 5.1265 5.1906 5.1906 5.4307 5.4307 5.5785 5.5785 5.6836 5.6836 5.7516 5.7516 5.8430 5.8430 6.2435 6.2435 6.3199 6.3199 7.7417 7.7417 8.1185 8.1185 10.8192 10.8192 k = 0.0000 0.5301 0.6314 ( 3494 PWs) bands (ev): -2.1009 -2.1009 -2.0356 -2.0356 -1.4306 -1.4306 -1.3558 -1.3558 -1.2988 -1.2988 3.1694 3.1694 3.6290 3.6290 3.9246 3.9246 4.0157 4.0157 4.1201 4.1201 4.1628 4.1628 4.4474 4.4474 4.5062 4.5062 5.1576 5.1576 5.2023 5.2023 5.4410 5.4410 5.5809 5.5809 5.7041 5.7041 5.7643 5.7643 5.8860 5.8860 6.2623 6.2623 6.3436 6.3436 7.8226 7.8226 8.1863 8.1863 10.6199 10.6199 k = 0.0000 0.5301 0.6512 ( 3484 PWs) bands (ev): -2.1017 -2.1017 -2.0373 -2.0373 -1.4372 -1.4372 -1.3431 -1.3431 -1.2970 -1.2970 3.2274 3.2274 3.6528 3.6528 3.9128 3.9128 4.0201 4.0201 4.1159 4.1159 4.1624 4.1624 4.4735 4.4735 4.5271 4.5271 5.1787 5.1787 5.2144 5.2144 5.4548 5.4548 5.5847 5.5847 5.7224 5.7224 5.7821 5.7821 5.9345 5.9345 6.2820 6.2820 6.3721 6.3721 7.9089 7.9089 8.2599 8.2599 10.4180 10.4180 k = 0.0000 0.5301 0.6709 ( 3482 PWs) bands (ev): -2.1030 -2.1030 -2.0390 -2.0390 -1.4436 -1.4436 -1.3304 -1.3304 -1.2952 -1.2952 3.2831 3.2831 3.6694 3.6694 3.9014 3.9014 4.0250 4.0250 4.1102 4.1102 4.1623 4.1623 4.5009 4.5009 4.5516 4.5516 5.1838 5.1838 5.2346 5.2346 5.4701 5.4701 5.5897 5.5897 5.7341 5.7341 5.8109 5.8109 5.9850 5.9850 6.3026 6.3026 6.4074 6.4074 8.0007 8.0007 8.3397 8.3397 10.2172 10.2172 k = 0.0000 0.5301 0.6906 ( 3486 PWs) bands (ev): -2.1047 -2.1047 -2.0407 -2.0407 -1.4496 -1.4496 -1.3178 -1.3178 -1.2935 -1.2935 3.3359 3.3359 3.6797 3.6797 3.8907 3.8907 4.0297 4.0297 4.1035 4.1035 4.1623 4.1623 4.5279 4.5279 4.5810 4.5810 5.1797 5.1797 5.2572 5.2572 5.4853 5.4853 5.5958 5.5958 5.7402 5.7402 5.8493 5.8493 6.0348 6.0348 6.3242 6.3242 6.4514 6.4514 8.0982 8.0982 8.4257 8.4257 10.0187 10.0187 k = 0.0000 0.5301 0.7104 ( 3494 PWs) bands (ev): -2.1066 -2.1066 -2.0424 -2.0424 -1.4553 -1.4553 -1.3055 -1.3055 -1.2918 -1.2918 3.3852 3.3852 3.6853 3.6853 3.8808 3.8808 4.0335 4.0335 4.0962 4.0962 4.1624 4.1624 4.5537 4.5537 4.6156 4.6156 5.1721 5.1721 5.2779 5.2779 5.4998 5.4998 5.6028 5.6028 5.7434 5.7434 5.8938 5.8938 6.0814 6.0814 6.3472 6.3472 6.5062 6.5062 8.2014 8.2014 8.5179 8.5179 9.8235 9.8235 k = 0.0000 0.5301 0.7301 ( 3490 PWs) bands (ev): -2.1088 -2.1088 -2.0441 -2.0441 -1.4606 -1.4606 -1.2943 -1.2943 -1.2895 -1.2895 3.4305 3.4305 3.6874 3.6874 3.8722 3.8722 4.0359 4.0359 4.0885 4.0885 4.1626 4.1626 4.5787 4.5787 4.6540 4.6540 5.1629 5.1629 5.2957 5.2957 5.5132 5.5132 5.6104 5.6104 5.7451 5.7451 5.9414 5.9414 6.1232 6.1232 6.3722 6.3722 6.5731 6.5731 8.3102 8.3102 8.6162 8.6162 9.6322 9.6323 k = 0.0000 0.5301 0.7498 ( 3484 PWs) bands (ev): -2.1110 -2.1110 -2.0457 -2.0457 -1.4654 -1.4654 -1.2897 -1.2897 -1.2810 -1.2810 3.4711 3.4711 3.6869 3.6869 3.8650 3.8650 4.0369 4.0369 4.0810 4.0810 4.1627 4.1627 4.6038 4.6038 4.6945 4.6945 5.1529 5.1529 5.3108 5.3108 5.5253 5.5253 5.6183 5.6183 5.7460 5.7460 5.9904 5.9904 6.1595 6.1595 6.3998 6.3998 6.6524 6.6524 8.4242 8.4242 8.7199 8.7199 9.4459 9.4459 k = 0.0000 0.5301 0.7696 ( 3480 PWs) bands (ev): -2.1133 -2.1133 -2.0473 -2.0473 -1.4699 -1.4699 -1.2882 -1.2882 -1.2702 -1.2702 3.5068 3.5068 3.6849 3.6849 3.8593 3.8593 4.0363 4.0363 4.0739 4.0739 4.1627 4.1627 4.6293 4.6293 4.7356 4.7356 5.1424 5.1424 5.3234 5.3234 5.5362 5.5362 5.6261 5.6261 5.7464 5.7464 6.0387 6.0387 6.1903 6.1903 6.4313 6.4313 6.7436 6.7436 8.5419 8.5419 8.8281 8.8281 9.2662 9.2662 k = 0.0000 0.5301 0.7893 ( 3478 PWs) bands (ev): -2.1155 -2.1155 -2.0488 -2.0488 -1.4740 -1.4740 -1.2869 -1.2869 -1.2598 -1.2598 3.5371 3.5371 3.6819 3.6819 3.8554 3.8554 4.0341 4.0341 4.0676 4.0676 4.1627 4.1627 4.6553 4.6553 4.7762 4.7762 5.1318 5.1318 5.3339 5.3339 5.5459 5.5459 5.6335 5.6335 5.7463 5.7463 6.0849 6.0849 6.2165 6.2165 6.4679 6.4679 6.8455 6.8455 8.6584 8.6584 8.9384 8.9384 9.0989 9.0989 k = 0.0000 0.5301 0.8090 ( 3484 PWs) bands (ev): -2.1178 -2.1178 -2.0502 -2.0502 -1.4778 -1.4778 -1.2857 -1.2857 -1.2502 -1.2502 3.5620 3.5620 3.6785 3.6785 3.8534 3.8534 4.0307 4.0307 4.0623 4.0623 4.1627 4.1627 4.6817 4.6817 4.8153 4.8153 5.1211 5.1211 5.3428 5.3428 5.5545 5.5545 5.6402 5.6402 5.7459 5.7459 6.1272 6.1272 6.2386 6.2386 6.5108 6.5108 6.9571 6.9571 8.7417 8.7417 8.9724 8.9724 9.0503 9.0503 k = 0.0000 0.5301 0.8288 ( 3474 PWs) bands (ev): -2.1199 -2.1199 -2.0515 -2.0515 -1.4811 -1.4811 -1.2847 -1.2847 -1.2413 -1.2413 3.5817 3.5817 3.6751 3.6751 3.8531 3.8531 4.0261 4.0261 4.0579 4.0579 4.1626 4.1626 4.7081 4.7081 4.8523 4.8523 5.1104 5.1104 5.3502 5.3502 5.5619 5.5619 5.6459 5.6459 5.7453 5.7453 6.1644 6.1644 6.2574 6.2574 6.5611 6.5611 7.0771 7.0771 8.6795 8.6795 9.0063 9.0063 9.1463 9.1463 k = 0.0000 0.5301 0.8485 ( 3476 PWs) bands (ev): -2.1219 -2.1219 -2.0527 -2.0527 -1.4840 -1.4840 -1.2838 -1.2838 -1.2333 -1.2333 3.5965 3.5965 3.6719 3.6719 3.8542 3.8542 4.0210 4.0210 4.0543 4.0543 4.1626 4.1626 4.7340 4.7340 4.8865 4.8865 5.0998 5.0998 5.3566 5.3566 5.5684 5.5684 5.6507 5.6507 5.7446 5.7446 6.1960 6.1960 6.2733 6.2733 6.6189 6.6189 7.2046 7.2046 8.5381 8.5381 9.1253 9.1253 9.2078 9.2078 k = 0.0000 0.5301 0.8682 ( 3476 PWs) bands (ev): -2.1237 -2.1237 -2.0537 -2.0537 -1.4866 -1.4866 -1.2830 -1.2830 -1.2263 -1.2263 3.6070 3.6070 3.6692 3.6692 3.8565 3.8565 4.0157 4.0157 4.0514 4.0514 4.1625 4.1625 4.7589 4.7589 4.9175 4.9175 5.0892 5.0892 5.3620 5.3620 5.5738 5.5738 5.6544 5.6544 5.7438 5.7438 6.2220 6.2220 6.2867 6.2867 6.6838 6.6838 7.3387 7.3387 8.3899 8.3899 9.1603 9.1603 9.2893 9.2893 k = 0.0000 0.5301 0.8880 ( 3472 PWs) bands (ev): -2.1252 -2.1252 -2.0546 -2.0546 -1.4887 -1.4887 -1.2823 -1.2823 -1.2202 -1.2202 3.6141 3.6141 3.6670 3.6670 3.8595 3.8595 4.0107 4.0107 4.0490 4.0490 4.1625 4.1625 4.7820 4.7820 4.9450 4.9450 5.0788 5.0788 5.3666 5.3666 5.5782 5.5782 5.6571 5.6571 5.7430 5.7430 6.2426 6.2426 6.2977 6.2977 6.7541 6.7541 7.4787 7.4787 8.2469 8.2469 9.0570 9.0570 9.4387 9.4387 k = 0.0000 0.5301 0.9077 ( 3476 PWs) bands (ev): -2.1266 -2.1266 -2.0554 -2.0554 -1.4905 -1.4905 -1.2818 -1.2818 -1.2152 -1.2152 3.6185 3.6185 3.6654 3.6654 3.8626 3.8626 4.0062 4.0062 4.0471 4.0471 4.1625 4.1625 4.8027 4.8027 4.9687 4.9687 5.0686 5.0686 5.3704 5.3704 5.5816 5.5816 5.6591 5.6591 5.7423 5.7423 6.2586 6.2586 6.3066 6.3066 6.8274 6.8274 7.6238 7.6238 8.1139 8.1139 8.9124 8.9124 9.5983 9.5983 k = 0.0000 0.5301 0.9274 ( 3478 PWs) bands (ev): -2.1276 -2.1276 -2.0560 -2.0560 -1.4918 -1.4918 -1.2813 -1.2813 -1.2113 -1.2113 3.6211 3.6211 3.6643 3.6643 3.8655 3.8655 4.0025 4.0025 4.0455 4.0455 4.1625 4.1625 4.8201 4.8201 4.9885 4.9885 5.0589 5.0589 5.3734 5.3734 5.5842 5.5842 5.6603 5.6603 5.7418 5.7418 6.2705 6.2705 6.3134 6.3134 6.8995 6.8995 7.7725 7.7725 7.9961 7.9961 8.7537 8.7537 9.7637 9.7637 k = 0.0000 0.5301 0.9472 ( 3482 PWs) bands (ev): -2.1284 -2.1284 -2.0565 -2.0565 -1.4928 -1.4928 -1.2810 -1.2810 -1.2085 -1.2085 3.6224 3.6224 3.6636 3.6636 3.8678 3.8678 3.9997 3.9997 4.0444 4.0444 4.1625 4.1625 4.8335 4.8335 5.0044 5.0044 5.0496 5.0496 5.3756 5.3756 5.5859 5.5859 5.6611 5.6611 5.7414 5.7414 6.2786 6.2786 6.3182 6.3182 6.9639 6.9639 7.8854 7.8854 7.9385 7.9385 8.5911 8.5911 9.9327 9.9327 k = 0.0000 0.5301 0.9669 ( 3476 PWs) bands (ev): -2.1289 -2.1289 -2.0567 -2.0567 -1.4934 -1.4934 -1.2808 -1.2808 -1.2067 -1.2067 3.6230 3.6230 3.6632 3.6632 3.8693 3.8693 3.9979 3.9979 4.0438 4.0438 4.1625 4.1625 4.8420 4.8420 5.0166 5.0166 5.0412 5.0412 5.3769 5.3769 5.5869 5.5869 5.6615 5.6615 5.7412 5.7412 6.2834 6.2834 6.3211 6.3211 7.0107 7.0107 7.8273 7.8273 8.0829 8.0829 8.4313 8.4313 10.1007 10.1007 k = 0.0000 0.5301 0.9866 ( 3484 PWs) bands (ev): -2.1290 -2.1290 -2.0569 -2.0569 -1.4936 -1.4936 -1.2808 -1.2808 -1.2062 -1.2062 3.6232 3.6232 3.6631 3.6631 3.8698 3.8698 3.9973 3.9973 4.0436 4.0436 4.1625 4.1625 4.8449 4.8449 5.0227 5.0227 5.0362 5.0362 5.3774 5.3774 5.5873 5.5873 5.6617 5.6617 5.7411 5.7411 6.2850 6.2850 6.3220 6.3220 7.0282 7.0282 7.8036 7.8036 8.1933 8.1933 8.3181 8.3181 10.2165 10.2165 k = 0.0000 0.5301 0.9866 ( 3484 PWs) bands (ev): -2.1290 -2.1290 -2.0569 -2.0569 -1.4936 -1.4936 -1.2808 -1.2808 -1.2062 -1.2062 3.6232 3.6232 3.6631 3.6631 3.8698 3.8698 3.9973 3.9973 4.0436 4.0436 4.1625 4.1625 4.8449 4.8449 5.0227 5.0227 5.0362 5.0362 5.3774 5.3774 5.5873 5.5873 5.6617 5.6617 5.7411 5.7411 6.2850 6.2850 6.3220 6.3220 7.0282 7.0282 7.8036 7.8036 8.1933 8.1933 8.3181 8.3181 10.2165 10.2165 k = 0.0198 0.5301 0.9866 ( 3480 PWs) bands (ev): -2.1290 -2.1290 -2.0569 -2.0569 -1.4936 -1.4936 -1.2808 -1.2808 -1.2062 -1.2062 3.6230 3.6230 3.6628 3.6628 3.8682 3.8682 3.9973 3.9973 4.0424 4.0424 4.1618 4.1618 4.8455 4.8455 5.0183 5.0183 5.0442 5.0442 5.3802 5.3802 5.5871 5.5871 5.6622 5.6622 5.7427 5.7427 6.2847 6.2847 6.3223 6.3223 7.0300 7.0300 7.8021 7.8021 8.1937 8.1937 8.3180 8.3180 10.1742 10.1742 k = 0.0395 0.5301 0.9866 ( 3482 PWs) bands (ev): -2.1291 -2.1291 -2.0570 -2.0570 -1.4938 -1.4938 -1.2809 -1.2809 -1.2063 -1.2063 3.6224 3.6224 3.6619 3.6619 3.8637 3.8637 3.9968 3.9968 4.0389 4.0389 4.1601 4.1601 4.8473 4.8473 5.0132 5.0132 5.0596 5.0596 5.3885 5.3885 5.5865 5.5865 5.6640 5.6640 5.7474 5.7474 6.2838 6.2838 6.3229 6.3229 7.0352 7.0352 7.7976 7.7976 8.1948 8.1948 8.3179 8.3179 10.0854 10.0854 k = 0.0593 0.5301 0.9866 ( 3486 PWs) bands (ev): -2.1293 -2.1293 -2.0571 -2.0571 -1.4939 -1.4939 -1.2810 -1.2810 -1.2064 -1.2064 3.6213 3.6213 3.6605 3.6605 3.8567 3.8567 3.9952 3.9952 4.0334 4.0334 4.1577 4.1577 4.8504 4.8504 5.0106 5.0106 5.0788 5.0788 5.4022 5.4022 5.5854 5.5854 5.6677 5.6677 5.7548 5.7548 6.2823 6.2823 6.3240 6.3240 7.0439 7.0439 7.7900 7.7900 8.1966 8.1966 8.3176 8.3176 9.9831 9.9831 k = 0.0790 0.5301 0.9866 ( 3490 PWs) bands (ev): -2.1295 -2.1295 -2.0573 -2.0573 -1.4942 -1.4942 -1.2812 -1.2812 -1.2066 -1.2066 3.6197 3.6197 3.6585 3.6585 3.8477 3.8477 3.9917 3.9917 4.0264 4.0264 4.1553 4.1553 4.8549 4.8549 5.0105 5.0105 5.1008 5.1008 5.4207 5.4207 5.5837 5.5837 5.6740 5.6740 5.7645 5.7645 6.2803 6.2803 6.3257 6.3257 7.0560 7.0560 7.7794 7.7794 8.1991 8.1991 8.3171 8.3171 9.8775 9.8775 k = 0.0988 0.5301 0.9866 ( 3490 PWs) bands (ev): -2.1297 -2.1297 -2.0575 -2.0575 -1.4945 -1.4945 -1.2814 -1.2814 -1.2068 -1.2068 3.6175 3.6175 3.6559 3.6559 3.8373 3.8373 3.9855 3.9855 4.0185 4.0185 4.1535 4.1535 4.8609 4.8609 5.0126 5.0126 5.1250 5.1250 5.4435 5.4435 5.5814 5.5814 5.6834 5.6834 5.7761 5.7761 6.2777 6.2777 6.3279 6.3279 7.0716 7.0716 7.7656 7.7656 8.2024 8.2024 8.3165 8.3165 9.7724 9.7724 k = 0.1185 0.5301 0.9866 ( 3488 PWs) bands (ev): -2.1300 -2.1300 -2.0578 -2.0578 -1.4948 -1.4948 -1.2816 -1.2816 -1.2070 -1.2070 3.6145 3.6145 3.6528 3.6528 3.8259 3.8259 3.9765 3.9765 4.0097 4.0097 4.1528 4.1528 4.8685 4.8685 5.0163 5.0163 5.1508 5.1508 5.4700 5.4700 5.5788 5.5788 5.6962 5.6962 5.7894 5.7894 6.2747 6.2747 6.3307 6.3307 7.0905 7.0905 7.7486 7.7486 8.2064 8.2064 8.3157 8.3157 9.6698 9.6698 k = 0.1383 0.5301 0.9866 ( 3496 PWs) bands (ev): -2.1303 -2.1303 -2.0581 -2.0581 -1.4953 -1.4953 -1.2819 -1.2819 -1.2074 -1.2074 3.6105 3.6105 3.6491 3.6491 3.8140 3.8140 3.9653 3.9653 4.0002 4.0002 4.1535 4.1535 4.8776 4.8776 5.0214 5.0214 5.1772 5.1772 5.4993 5.4993 5.5761 5.5761 5.7122 5.7122 5.8042 5.8042 6.2712 6.2712 6.3343 6.3343 7.1129 7.1129 7.7284 7.7284 8.2111 8.2111 8.3146 8.3146 9.5709 9.5709 k = 0.1580 0.5301 0.9866 ( 3498 PWs) bands (ev): -2.1307 -2.1307 -2.0585 -2.0585 -1.4957 -1.4957 -1.2822 -1.2822 -1.2077 -1.2077 3.6056 3.6056 3.6450 3.6450 3.8020 3.8020 3.9526 3.9526 3.9900 3.9900 4.1554 4.1554 4.8882 4.8882 5.0276 5.0276 5.2037 5.2037 5.5304 5.5304 5.5741 5.5741 5.7314 5.7314 5.8209 5.8209 6.2674 6.2674 6.3387 6.3387 7.1385 7.1385 7.7048 7.7048 8.2164 8.2164 8.3130 8.3130 9.4766 9.4766 k = 0.1778 0.5301 0.9866 ( 3494 PWs) bands (ev): -2.1311 -2.1311 -2.0588 -2.0588 -1.4962 -1.4962 -1.2825 -1.2825 -1.2080 -1.2080 3.5996 3.5996 3.6403 3.6403 3.7899 3.7899 3.9392 3.9392 3.9793 3.9793 4.1583 4.1583 4.8999 4.8999 5.0346 5.0346 5.2296 5.2296 5.5584 5.5584 5.5772 5.5772 5.7528 5.7528 5.8396 5.8396 6.2633 6.2633 6.3441 6.3441 7.1674 7.1674 7.6780 7.6780 8.2224 8.2224 8.3108 8.3108 9.3877 9.3877 k = 0.1976 0.5301 0.9866 ( 3492 PWs) bands (ev): -2.1315 -2.1315 -2.0592 -2.0592 -1.4967 -1.4967 -1.2829 -1.2829 -1.2084 -1.2084 3.5925 3.5925 3.6351 3.6351 3.7782 3.7782 3.9258 3.9258 3.9685 3.9685 4.1619 4.1619 4.9127 4.9127 5.0421 5.0421 5.2541 5.2541 5.5649 5.5649 5.6033 5.6033 5.7754 5.7754 5.8613 5.8613 6.2590 6.2590 6.3506 6.3506 7.1996 7.1996 7.6479 7.6479 8.2290 8.2290 8.3077 8.3077 9.3047 9.3047 k = 0.2173 0.5301 0.9866 ( 3504 PWs) bands (ev): -2.1320 -2.1320 -2.0596 -2.0596 -1.4973 -1.4973 -1.2833 -1.2833 -1.2088 -1.2088 3.5845 3.5845 3.6293 3.6293 3.7668 3.7668 3.9128 3.9128 3.9581 3.9581 4.1658 4.1658 4.9262 4.9262 5.0500 5.0500 5.2770 5.2770 5.5645 5.5645 5.6375 5.6375 5.7976 5.7976 5.8866 5.8866 6.2546 6.2546 6.3582 6.3582 7.2348 7.2348 7.6147 7.6147 8.2358 8.2358 8.3036 8.3036 9.2266 9.2266 k = 0.2371 0.5301 0.9866 ( 3500 PWs) bands (ev): -2.1324 -2.1324 -2.0600 -2.0600 -1.4979 -1.4979 -1.2836 -1.2836 -1.2092 -1.2092 3.5757 3.5757 3.6228 3.6228 3.7560 3.7560 3.9007 3.9007 3.9482 3.9482 4.1699 4.1699 4.9400 4.9400 5.0581 5.0581 5.2980 5.2980 5.5641 5.5641 5.6727 5.6727 5.8182 5.8182 5.9159 5.9159 6.2503 6.2503 6.3672 6.3672 7.2729 7.2729 7.5788 7.5788 8.2420 8.2420 8.2984 8.2984 9.1426 9.1426 k = 0.2568 0.5301 0.9866 ( 3496 PWs) bands (ev): -2.1328 -2.1328 -2.0604 -2.0604 -1.4984 -1.4984 -1.2840 -1.2840 -1.2096 -1.2096 3.5664 3.5664 3.6156 3.6156 3.7457 3.7457 3.8897 3.8897 3.9393 3.9393 4.1738 4.1738 4.9539 4.9539 5.0663 5.0663 5.3169 5.3169 5.5643 5.5643 5.7079 5.7079 5.8364 5.8364 5.9487 5.9487 6.2463 6.2463 6.3776 6.3776 7.3138 7.3138 7.5404 7.5404 8.2456 8.2456 8.2934 8.2934 9.0522 9.0522 k = 0.2766 0.5301 0.9866 ( 3488 PWs) bands (ev): -2.1333 -2.1333 -2.0607 -2.0607 -1.4989 -1.4989 -1.2843 -1.2843 -1.2099 -1.2099 3.5567 3.5567 3.6078 3.6078 3.7360 3.7360 3.8800 3.8800 3.9314 3.9314 4.1775 4.1775 4.9674 4.9674 5.0742 5.0742 5.3336 5.3336 5.5652 5.5652 5.7426 5.7426 5.8523 5.8523 5.9836 5.9836 6.2430 6.2430 6.3894 6.3894 7.3568 7.3568 7.5005 7.5005 8.2414 8.2414 8.2921 8.2921 8.9692 8.9692 k = 0.2963 0.5301 0.9866 ( 3486 PWs) bands (ev): -2.1337 -2.1337 -2.0611 -2.0611 -1.4995 -1.4995 -1.2847 -1.2847 -1.2103 -1.2103 3.5470 3.5470 3.5996 3.5996 3.7270 3.7270 3.8719 3.8719 3.9247 3.9247 4.1808 4.1808 4.9804 4.9804 5.0818 5.0818 5.3483 5.3483 5.5670 5.5670 5.7763 5.7763 5.8664 5.8664 6.0187 6.0187 6.2409 6.2409 6.4026 6.4026 7.3993 7.3993 7.4620 7.4620 8.2250 8.2250 8.2973 8.2973 8.8977 8.8977 k = 0.3161 0.5301 0.9866 ( 3494 PWs) bands (ev): -2.1342 -2.1342 -2.0615 -2.0615 -1.5000 -1.5000 -1.2851 -1.2851 -1.2107 -1.2107 3.5375 3.5375 3.5910 3.5910 3.7186 3.7186 3.8652 3.8652 3.9191 3.9191 4.1836 4.1836 4.9925 4.9925 5.0886 5.0886 5.3611 5.3611 5.5696 5.5696 5.8085 5.8085 5.8789 5.8789 6.0519 6.0519 6.2409 6.2409 6.4169 6.4169 7.4060 7.4060 7.4604 7.4604 8.1974 8.1974 8.3072 8.3072 8.8402 8.8402 k = 0.3358 0.5301 0.9866 ( 3498 PWs) bands (ev): -2.1346 -2.1346 -2.0618 -2.0618 -1.5005 -1.5005 -1.2855 -1.2855 -1.2111 -1.2111 3.5284 3.5284 3.5824 3.5824 3.7109 3.7109 3.8600 3.8600 3.9146 3.9146 4.1859 4.1859 5.0034 5.0034 5.0945 5.0945 5.3722 5.3722 5.5730 5.5730 5.8379 5.8379 5.8910 5.8910 6.0806 6.0806 6.2442 6.2442 6.4320 6.4320 7.3682 7.3682 7.5043 7.5043 8.1606 8.1606 8.3196 8.3196 8.7984 8.7984 k = 0.3556 0.5301 0.9866 ( 3502 PWs) bands (ev): -2.1349 -2.1349 -2.0621 -2.0621 -1.5009 -1.5009 -1.2858 -1.2858 -1.2114 -1.2114 3.5200 3.5200 3.5739 3.5739 3.7038 3.7038 3.8563 3.8563 3.9113 3.9113 4.1876 4.1876 5.0130 5.0130 5.0992 5.0992 5.3816 5.3816 5.5771 5.5771 5.8624 5.8624 5.9045 5.9045 6.1023 6.1023 6.2524 6.2524 6.4477 6.4477 7.3281 7.3281 7.5509 7.5509 8.1177 8.1177 8.3336 8.3336 8.7722 8.7722 k = 0.3754 0.5301 0.9866 ( 3512 PWs) bands (ev): -2.1353 -2.1353 -2.0624 -2.0624 -1.5013 -1.5013 -1.2862 -1.2862 -1.2117 -1.2117 3.5123 3.5123 3.5658 3.5658 3.6973 3.6973 3.8539 3.8539 3.9090 3.9090 4.1887 4.1887 5.0210 5.0210 5.1025 5.1025 5.3895 5.3895 5.5816 5.5816 5.8789 5.8789 5.9223 5.9223 6.1154 6.1154 6.2659 6.2659 6.4632 6.4632 7.2898 7.2898 7.5938 7.5938 8.0741 8.0741 8.3487 8.3487 8.7607 8.7607 k = 0.3754 0.5301 0.9866 ( 3512 PWs) bands (ev): -2.1353 -2.1353 -2.0624 -2.0624 -1.5013 -1.5013 -1.2862 -1.2862 -1.2117 -1.2117 3.5123 3.5123 3.5658 3.5658 3.6973 3.6973 3.8539 3.8539 3.9090 3.9090 4.1887 4.1887 5.0210 5.0210 5.1025 5.1025 5.3895 5.3895 5.5816 5.5816 5.8789 5.8789 5.9223 5.9223 6.1154 6.1154 6.2659 6.2659 6.4632 6.4632 7.2898 7.2898 7.5938 7.5938 8.0741 8.0741 8.3487 8.3487 8.7607 8.7607 k = 0.3640 0.5140 0.9866 ( 3508 PWs) bands (ev): -2.1347 -2.1347 -2.0620 -2.0620 -1.5007 -1.5007 -1.2856 -1.2856 -1.2112 -1.2112 3.5251 3.5251 3.5796 3.5796 3.7080 3.7080 3.8572 3.8572 3.9124 3.9124 4.1868 4.1868 5.0080 5.0080 5.0984 5.0984 5.3765 5.3765 5.5738 5.5738 5.8550 5.8550 5.8892 5.8892 6.0997 6.0997 6.2381 6.2381 6.4369 6.4369 7.3530 7.3530 7.5280 7.5280 8.1468 8.1468 8.3255 8.3255 8.7688 8.7688 k = 0.3526 0.4980 0.9866 ( 3488 PWs) bands (ev): -2.1342 -2.1342 -2.0615 -2.0615 -1.5000 -1.5000 -1.2850 -1.2850 -1.2107 -1.2107 3.5388 3.5388 3.5942 3.5942 3.7191 3.7191 3.8613 3.8613 3.9163 3.9163 4.1840 4.1840 4.9937 4.9937 5.0947 5.0947 5.3623 5.3623 5.5670 5.5670 5.8228 5.8228 5.8629 5.8629 6.0834 6.0834 6.2096 6.2096 6.4109 6.4109 7.4115 7.4115 7.4699 7.4699 8.2191 8.2191 8.3126 8.3126 8.7769 8.7769 k = 0.3412 0.4819 0.9866 ( 3492 PWs) bands (ev): -2.1336 -2.1336 -2.0610 -2.0610 -1.4993 -1.4993 -1.2845 -1.2845 -1.2101 -1.2101 3.5531 3.5531 3.6093 3.6093 3.7301 3.7301 3.8663 3.8663 3.9208 3.9208 4.1800 4.1800 4.9782 4.9782 5.0914 5.0914 5.3469 5.3469 5.5610 5.5610 5.7840 5.7840 5.8424 5.8424 6.0664 6.0664 6.1805 6.1805 6.3851 6.3851 7.4000 7.4000 7.4836 7.4836 8.2686 8.2686 8.3332 8.3332 8.7852 8.7852 k = 0.3299 0.4658 0.9866 ( 3494 PWs) bands (ev): -2.1330 -2.1330 -2.0606 -2.0606 -1.4987 -1.4987 -1.2840 -1.2840 -1.2096 -1.2096 3.5680 3.5680 3.6249 3.6249 3.7411 3.7411 3.8723 3.8723 3.9260 3.9260 4.1749 4.1749 4.9616 4.9616 5.0880 5.0880 5.3303 5.3303 5.5555 5.5555 5.7434 5.7434 5.8244 5.8244 6.0488 6.0488 6.1512 6.1512 6.3595 6.3595 7.3482 7.3482 7.5383 7.5383 8.2792 8.2792 8.4042 8.4042 8.7940 8.7940 k = 0.3185 0.4498 0.9866 ( 3490 PWs) bands (ev): -2.1324 -2.1324 -2.0601 -2.0601 -1.4979 -1.4979 -1.2835 -1.2835 -1.2091 -1.2091 3.5834 3.5834 3.6409 3.6409 3.7517 3.7517 3.8794 3.8794 3.9320 3.9320 4.1686 4.1686 4.9439 4.9439 5.0843 5.0843 5.3125 5.3125 5.5495 5.5495 5.7041 5.7041 5.8076 5.8076 6.0308 6.0308 6.1216 6.1216 6.3344 6.3344 7.2989 7.2989 7.5893 7.5893 8.2897 8.2897 8.4879 8.4879 8.8037 8.8037 k = 0.3071 0.4337 0.9866 ( 3490 PWs) bands (ev): -2.1318 -2.1318 -2.0596 -2.0596 -1.4972 -1.4972 -1.2830 -1.2830 -1.2086 -1.2086 3.5993 3.5993 3.6570 3.6570 3.7619 3.7619 3.8876 3.8876 3.9389 3.9389 4.1613 4.1613 4.9253 4.9253 5.0799 5.0799 5.2936 5.2936 5.5406 5.5406 5.6701 5.6701 5.7917 5.7917 6.0125 6.0125 6.0918 6.0918 6.3099 6.3099 7.2538 7.2538 7.6335 7.6335 8.3098 8.3098 8.5753 8.5753 8.8149 8.8149 k = 0.2957 0.4176 0.9866 ( 3486 PWs) bands (ev): -2.1311 -2.1311 -2.0591 -2.0591 -1.4965 -1.4965 -1.2825 -1.2825 -1.2081 -1.2081 3.6154 3.6154 3.6733 3.6733 3.7715 3.7715 3.8968 3.8968 3.9468 3.9468 4.1529 4.1529 4.9059 4.9059 5.0742 5.0742 5.2737 5.2737 5.5250 5.5250 5.6464 5.6464 5.7767 5.7767 5.9937 5.9937 6.0618 6.0618 6.2864 6.2864 7.2130 7.2130 7.6693 7.6693 8.3417 8.3417 8.6637 8.6637 8.8288 8.8288 k = 0.2844 0.4016 0.9866 ( 3486 PWs) bands (ev): -2.1305 -2.1305 -2.0587 -2.0587 -1.4958 -1.4958 -1.2820 -1.2820 -1.2077 -1.2077 3.6316 3.6316 3.6895 3.6895 3.7806 3.7806 3.9067 3.9067 3.9560 3.9560 4.1436 4.1436 4.8857 4.8857 5.0667 5.0667 5.2527 5.2527 5.5006 5.5006 5.6359 5.6359 5.7625 5.7625 5.9744 5.9744 6.0317 6.0317 6.2641 6.2641 7.1763 7.1763 7.6964 7.6964 8.3857 8.3857 8.7480 8.7480 8.8499 8.8499 k = 0.2730 0.3855 0.9866 ( 3490 PWs) bands (ev): -2.1299 -2.1299 -2.0582 -2.0582 -1.4951 -1.4951 -1.2815 -1.2815 -1.2072 -1.2072 3.6478 3.6478 3.7054 3.7054 3.7892 3.7892 3.9172 3.9172 3.9664 3.9664 4.1337 4.1337 4.8648 4.8648 5.0570 5.0570 5.2310 5.2310 5.4704 5.4704 5.6364 5.6364 5.7491 5.7491 5.9539 5.9539 6.0023 6.0023 6.2433 6.2433 7.1436 7.1436 7.7154 7.7154 8.4410 8.4410 8.8108 8.8108 8.8950 8.8950 k = 0.2616 0.3694 0.9866 ( 3480 PWs) bands (ev): -2.1292 -2.1292 -2.0577 -2.0577 -1.4943 -1.4943 -1.2811 -1.2811 -1.2068 -1.2068 3.6639 3.6639 3.7209 3.7209 3.7974 3.7974 3.9280 3.9280 3.9781 3.9781 4.1232 4.1232 4.8433 4.8433 5.0446 5.0446 5.2087 5.2087 5.4384 5.4384 5.6442 5.6442 5.7367 5.7367 5.9312 5.9312 5.9745 5.9745 6.2243 6.2243 7.1146 7.1146 7.7274 7.7274 8.5060 8.5060 8.8422 8.8422 8.9709 8.9709 k = 0.2502 0.3534 0.9866 ( 3480 PWs) bands (ev): -2.1286 -2.1286 -2.0573 -2.0573 -1.4936 -1.4936 -1.2807 -1.2807 -1.2065 -1.2065 3.6796 3.6796 3.7358 3.7358 3.8054 3.8054 3.9389 3.9389 3.9910 3.9910 4.1125 4.1125 4.8213 4.8213 5.0296 5.0296 5.1859 5.1859 5.4074 5.4074 5.6566 5.6566 5.7251 5.7251 5.9052 5.9052 5.9500 5.9500 6.2076 6.2076 7.0891 7.0891 7.7340 7.7340 8.5788 8.5788 8.8637 8.8637 9.0374 9.0374 k = 0.2389 0.3373 0.9866 ( 3476 PWs) bands (ev): -2.1279 -2.1279 -2.0569 -2.0569 -1.4929 -1.4929 -1.2803 -1.2803 -1.2061 -1.2061 3.6948 3.6948 3.7498 3.7498 3.8134 3.8134 3.9499 3.9499 4.0047 4.0047 4.1019 4.1019 4.7989 4.7989 5.0122 5.0122 5.1629 5.1629 5.3786 5.3786 5.6718 5.6718 5.7143 5.7143 5.8760 5.8760 5.9290 5.9290 6.1934 6.1934 7.0668 7.0668 7.7366 7.7366 8.6573 8.6573 8.8846 8.8846 9.0720 9.0720 k = 0.2275 0.3213 0.9866 ( 3476 PWs) bands (ev): -2.1273 -2.1273 -2.0565 -2.0565 -1.4922 -1.4922 -1.2800 -1.2800 -1.2058 -1.2058 3.7093 3.7093 3.7627 3.7627 3.8217 3.8217 3.9609 3.9609 4.0189 4.0189 4.0918 4.0918 4.7761 4.7761 4.9928 4.9928 5.1399 5.1399 5.3524 5.3524 5.6874 5.6874 5.7052 5.7052 5.8451 5.8451 5.9105 5.9105 6.1821 6.1821 7.0472 7.0472 7.7362 7.7362 8.7392 8.7392 8.9077 8.9077 9.1002 9.1002 k = 0.2161 0.3052 0.9866 ( 3480 PWs) bands (ev): -2.1267 -2.1267 -2.0561 -2.0561 -1.4916 -1.4916 -1.2797 -1.2797 -1.2056 -1.2056 3.7230 3.7230 3.7744 3.7744 3.8303 3.8303 3.9719 3.9719 4.0330 4.0330 4.0828 4.0828 4.7533 4.7533 4.9722 4.9722 5.1170 5.1170 5.3288 5.3288 5.6897 5.6897 5.7094 5.7094 5.8146 5.8146 5.8937 5.8937 6.1741 6.1741 7.0303 7.0303 7.7339 7.7339 8.8204 8.8204 8.9366 8.9366 9.1294 9.1294 k = 0.2047 0.2891 0.9866 ( 3476 PWs) bands (ev): -2.1261 -2.1261 -2.0558 -2.0558 -1.4910 -1.4910 -1.2795 -1.2795 -1.2053 -1.2053 3.7356 3.7356 3.7846 3.7846 3.8393 3.8393 3.9829 3.9829 4.0459 4.0459 4.0758 4.0758 4.7305 4.7305 4.9511 4.9511 5.0944 5.0944 5.3075 5.3075 5.6789 5.6789 5.7233 5.7233 5.7874 5.7874 5.8781 5.8781 6.1699 6.1699 7.0157 7.0157 7.7302 7.7302 8.8910 8.8910 8.9803 8.9803 9.1612 9.1612 k = 0.1934 0.2731 0.9866 ( 3480 PWs) bands (ev): -2.1256 -2.1256 -2.0555 -2.0555 -1.4904 -1.4904 -1.2793 -1.2793 -1.2051 -1.2051 3.7469 3.7469 3.7934 3.7934 3.8487 3.8487 3.9934 3.9934 4.0546 4.0546 4.0743 4.0743 4.7082 4.7082 4.9302 4.9302 5.0723 5.0723 5.2881 5.2881 5.6641 5.6641 5.7305 5.7305 5.7703 5.7703 5.8635 5.8635 6.1699 6.1699 7.0031 7.0031 7.7256 7.7256 8.9397 8.9397 9.0492 9.0492 9.1964 9.1964 k = 0.1820 0.2570 0.9866 ( 3480 PWs) bands (ev): -2.1251 -2.1251 -2.0552 -2.0552 -1.4898 -1.4898 -1.2791 -1.2791 -1.2050 -1.2050 3.7567 3.7567 3.8007 3.8007 3.8584 3.8584 4.0031 4.0031 4.0562 4.0562 4.0814 4.0814 4.6867 4.6867 4.9101 4.9101 5.0509 5.0509 5.2703 5.2703 5.6441 5.6441 5.7239 5.7239 5.7707 5.7707 5.8501 5.8501 6.1744 6.1744 6.9924 6.9924 7.7205 7.7205 8.9751 8.9751 9.1327 9.1327 9.2368 9.2368 k = 0.1706 0.2409 0.9866 ( 3492 PWs) bands (ev): -2.1246 -2.1246 -2.0549 -2.0549 -1.4893 -1.4893 -1.2790 -1.2790 -1.2049 -1.2049 3.7649 3.7649 3.8068 3.8068 3.8681 3.8681 4.0111 4.0111 4.0569 4.0569 4.0917 4.0917 4.6664 4.6664 4.8911 4.8911 5.0305 5.0305 5.2538 5.2538 5.6188 5.6188 5.7139 5.7139 5.7774 5.7774 5.8381 5.8381 6.1837 6.1837 6.9833 6.9833 7.7151 7.7151 9.0074 9.0074 9.2158 9.2158 9.2867 9.2867 k = 0.1592 0.2249 0.9866 ( 3484 PWs) bands (ev): -2.1241 -2.1241 -2.0546 -2.0546 -1.4888 -1.4888 -1.2789 -1.2789 -1.2048 -1.2048 3.7711 3.7711 3.8120 3.8120 3.8777 3.8777 4.0167 4.0167 4.0605 4.0605 4.1018 4.1018 4.6475 4.6475 4.8736 4.8736 5.0112 5.0112 5.2384 5.2384 5.5897 5.5897 5.7063 5.7063 5.7821 5.7821 5.8283 5.8283 6.1974 6.1974 6.9756 6.9756 7.7097 7.7097 9.0398 9.0398 9.2851 9.2851 9.3559 9.3559 k = 0.1479 0.2088 0.9866 ( 3488 PWs) bands (ev): -2.1236 -2.1236 -2.0544 -2.0544 -1.4883 -1.4883 -1.2788 -1.2788 -1.2047 -1.2047 3.7752 3.7752 3.8165 3.8165 3.8869 3.8869 4.0203 4.0203 4.0675 4.0675 4.1107 4.1107 4.6305 4.6305 4.8577 4.8577 4.9933 4.9933 5.2241 5.2241 5.5587 5.5587 5.7010 5.7010 5.7820 5.7820 5.8217 5.8217 6.2150 6.2150 6.9691 6.9691 7.7043 7.7043 9.0732 9.0732 9.3414 9.3414 9.4421 9.4421 k = 0.1365 0.1928 0.9866 ( 3488 PWs) bands (ev): -2.1232 -2.1232 -2.0542 -2.0542 -1.4879 -1.4879 -1.2788 -1.2788 -1.2047 -1.2047 3.7773 3.7773 3.8204 3.8204 3.8957 3.8957 4.0230 4.0230 4.0767 4.0767 4.1183 4.1183 4.6153 4.6153 4.8435 4.8435 4.9769 4.9769 5.2108 5.2108 5.5271 5.5271 5.6974 5.6974 5.7772 5.7772 5.8182 5.8182 6.2357 6.2357 6.9638 6.9638 7.6991 7.6991 9.1081 9.1081 9.3951 9.3951 9.5339 9.5339 k = 0.1251 0.1767 0.9866 ( 3488 PWs) bands (ev): -2.1228 -2.1228 -2.0540 -2.0540 -1.4875 -1.4875 -1.2788 -1.2788 -1.2046 -1.2046 3.7775 3.7775 3.8239 3.8239 3.9041 3.9041 4.0256 4.0256 4.0869 4.0869 4.1246 4.1246 4.6020 4.6020 4.8311 4.8311 4.9622 4.9622 5.1985 5.1985 5.4957 5.4957 5.6947 5.6947 5.7695 5.7695 5.8164 5.8164 6.2586 6.2586 6.9594 6.9594 7.6942 7.6942 9.1442 9.1442 9.4503 9.4503 9.6261 9.6261 k = 0.1137 0.1606 0.9866 ( 3488 PWs) bands (ev): -2.1225 -2.1225 -2.0538 -2.0538 -1.4871 -1.4871 -1.2788 -1.2788 -1.2046 -1.2046 3.7762 3.7762 3.8269 3.8269 3.9119 3.9119 4.0285 4.0285 4.0971 4.0971 4.1299 4.1299 4.5904 4.5904 4.8207 4.8207 4.9491 4.9491 5.1873 5.1873 5.4649 5.4649 5.6927 5.6927 5.7606 5.7606 5.8151 5.8151 6.2826 6.2826 6.9558 6.9558 7.6895 7.6895 9.1815 9.1815 9.5082 9.5082 9.7168 9.7168 k = 0.1024 0.1446 0.9866 ( 3488 PWs) bands (ev): -2.1221 -2.1221 -2.0537 -2.0537 -1.4868 -1.4868 -1.2788 -1.2788 -1.2046 -1.2046 3.7737 3.7737 3.8294 3.8294 3.9192 3.9192 4.0317 4.0317 4.1065 4.1065 4.1347 4.1347 4.5803 4.5803 4.8122 4.8122 4.9378 4.9378 5.1772 5.1772 5.4351 5.4351 5.6910 5.6910 5.7516 5.7516 5.8137 5.8137 6.3069 6.3069 6.9529 6.9529 7.6852 7.6852 9.2195 9.2195 9.5689 9.5689 9.8046 9.8046 k = 0.0910 0.1285 0.9866 ( 3484 PWs) bands (ev): -2.1218 -2.1218 -2.0535 -2.0535 -1.4865 -1.4865 -1.2788 -1.2788 -1.2046 -1.2046 3.7705 3.7705 3.8312 3.8312 3.9259 3.9259 4.0351 4.0351 4.1143 4.1143 4.1398 4.1398 4.5714 4.5714 4.8058 4.8058 4.9281 4.9281 5.1683 5.1683 5.4066 5.4066 5.6896 5.6896 5.7430 5.7430 5.8122 5.8122 6.3306 6.3306 6.9506 6.9506 7.6813 7.6813 9.2577 9.2577 9.6321 9.6321 9.8882 9.8882 k = 0.0796 0.1124 0.9866 ( 3488 PWs) bands (ev): -2.1216 -2.1216 -2.0534 -2.0534 -1.4863 -1.4863 -1.2789 -1.2789 -1.2046 -1.2046 3.7669 3.7669 3.8325 3.8325 3.9321 3.9321 4.0385 4.0385 4.1198 4.1198 4.1459 4.1459 4.5634 4.5634 4.8014 4.8014 4.9200 4.9200 5.1608 5.1608 5.3798 5.3798 5.6883 5.6883 5.7350 5.7350 5.8107 5.8107 6.3531 6.3531 6.9487 6.9487 7.6778 7.6778 9.2954 9.2954 9.6974 9.6974 9.9664 9.9664 k = 0.0682 0.0964 0.9866 ( 3478 PWs) bands (ev): -2.1213 -2.1213 -2.0533 -2.0533 -1.4860 -1.4860 -1.2789 -1.2789 -1.2046 -1.2046 3.7632 3.7632 3.8333 3.8333 3.9377 3.9377 4.0418 4.0418 4.1231 4.1231 4.1529 4.1529 4.5561 4.5561 4.7987 4.7987 4.9132 4.9132 5.1547 5.1547 5.3550 5.3550 5.6872 5.6872 5.7278 5.7278 5.8093 5.8093 6.3736 6.3736 6.9473 6.9473 7.6748 7.6748 9.3318 9.3318 9.7637 9.7637 10.0379 10.0379 k = 0.0569 0.0803 0.9866 ( 3478 PWs) bands (ev): -2.1212 -2.1212 -2.0532 -2.0532 -1.4858 -1.4858 -1.2789 -1.2789 -1.2046 -1.2046 3.7596 3.7596 3.8337 3.8337 3.9425 3.9425 4.0448 4.0448 4.1248 4.1248 4.1601 4.1601 4.5494 4.5494 4.7976 4.7976 4.9078 4.9078 5.1501 5.1501 5.3325 5.3325 5.6861 5.6861 5.7216 5.7216 5.8082 5.8082 6.3918 6.3918 6.9462 6.9462 7.6721 7.6721 9.3657 9.3657 9.8296 9.8296 10.1013 10.1013 k = 0.0455 0.0643 0.9866 ( 3462 PWs) bands (ev): -2.1210 -2.1210 -2.0531 -2.0531 -1.4857 -1.4857 -1.2789 -1.2789 -1.2046 -1.2046 3.7565 3.7565 3.8338 3.8338 3.9466 3.9466 4.0474 4.0474 4.1257 4.1257 4.1668 4.1668 4.5436 4.5436 4.7976 4.7976 4.9036 4.9036 5.1468 5.1468 5.3129 5.3129 5.6851 5.6851 5.7163 5.7163 5.8072 5.8072 6.4072 6.4072 6.9454 6.9454 7.6700 7.6700 9.3961 9.3961 9.8927 9.8927 10.1554 10.1554 k = 0.0341 0.0482 0.9866 ( 3458 PWs) bands (ev): -2.1208 -2.1208 -2.0531 -2.0531 -1.4855 -1.4855 -1.2789 -1.2789 -1.2046 -1.2046 3.7539 3.7539 3.8338 3.8338 3.9498 3.9498 4.0495 4.0495 4.1261 4.1261 4.1724 4.1724 4.5387 4.5387 4.7982 4.7982 4.9004 4.9004 5.1447 5.1447 5.2966 5.2966 5.6842 5.6842 5.7122 5.7122 5.8065 5.8065 6.4196 6.4196 6.9448 6.9448 7.6683 7.6683 9.4216 9.4216 9.9500 9.9500 10.1989 10.1989 k = 0.0227 0.0321 0.9866 ( 3446 PWs) bands (ev): -2.1207 -2.1207 -2.0530 -2.0530 -1.4854 -1.4854 -1.2789 -1.2789 -1.2046 -1.2046 3.7519 3.7519 3.8337 3.8337 3.9522 3.9522 4.0510 4.0510 4.1263 4.1263 4.1767 4.1767 4.5350 4.5350 4.7991 4.7991 4.8982 4.8982 5.1437 5.1437 5.2843 5.2843 5.6836 5.6836 5.7092 5.7092 5.8060 5.8060 6.4285 6.4285 6.9444 6.9444 7.6671 7.6671 9.4409 9.4409 9.9970 9.9970 10.2307 10.2307 k = 0.0114 0.0161 0.9866 ( 3440 PWs) bands (ev): -2.1207 -2.1207 -2.0529 -2.0529 -1.4853 -1.4853 -1.2789 -1.2789 -1.2045 -1.2045 3.7507 3.7507 3.8336 3.8336 3.9536 3.9536 4.0519 4.0519 4.1264 4.1264 4.1794 4.1794 4.5327 4.5327 4.7997 4.7997 4.8970 4.8970 5.1432 5.1432 5.2766 5.2766 5.6832 5.6832 5.7074 5.7074 5.8057 5.8057 6.4340 6.4340 6.9442 6.9442 7.6664 7.6664 9.4530 9.4530 10.0284 10.0284 10.2501 10.2501 k = 0.0000 0.0000 0.9866 ( 3432 PWs) bands (ev): -2.1206 -2.1206 -2.0529 -2.0529 -1.4853 -1.4853 -1.2788 -1.2788 -1.2045 -1.2045 3.7503 3.7503 3.8335 3.8335 3.9541 3.9541 4.0523 4.0523 4.1264 4.1264 4.1803 4.1803 4.5319 4.5319 4.8000 4.8000 4.8965 4.8965 5.1432 5.1432 5.2739 5.2739 5.6830 5.6830 5.7068 5.7068 5.8056 5.8056 6.4358 6.4358 6.9442 6.9442 7.6661 7.6661 9.4571 9.4571 10.0396 10.0396 10.2566 10.2566 k = 0.0000 0.0000 0.9866 ( 3432 PWs) bands (ev): -2.1206 -2.1206 -2.0529 -2.0529 -1.4853 -1.4853 -1.2788 -1.2788 -1.2045 -1.2045 3.7503 3.7503 3.8335 3.8335 3.9541 3.9541 4.0523 4.0523 4.1264 4.1264 4.1803 4.1803 4.5319 4.5319 4.8000 4.8000 4.8965 4.8965 5.1432 5.1432 5.2739 5.2739 5.6830 5.6830 5.7068 5.7068 5.8056 5.8056 6.4358 6.4358 6.9442 6.9442 7.6661 7.6661 9.4571 9.4571 10.0396 10.0396 10.2566 10.2566 k = 0.0000 0.0000 0.9669 ( 3438 PWs) bands (ev): -2.1205 -2.1205 -2.0528 -2.0528 -1.4851 -1.4851 -1.2789 -1.2789 -1.2051 -1.2051 3.7471 3.7471 3.8328 3.8328 3.9552 3.9552 4.0524 4.0524 4.1259 4.1259 4.1802 4.1802 4.5188 4.5188 4.8107 4.8107 4.8989 4.8989 5.1428 5.1428 5.2743 5.2743 5.6816 5.6816 5.7080 5.7080 5.8061 5.8061 6.4342 6.4342 6.9349 6.9349 7.6787 7.6787 9.4296 9.4296 9.9978 9.9978 10.2833 10.2833 k = 0.0000 0.0000 0.9472 ( 3446 PWs) bands (ev): -2.1201 -2.1201 -2.0526 -2.0526 -1.4846 -1.4846 -1.2792 -1.2792 -1.2069 -1.2069 3.7367 3.7367 3.8314 3.8314 3.9585 3.9585 4.0529 4.0529 4.1244 4.1244 4.1799 4.1799 4.4864 4.4864 4.8330 4.8330 4.9090 4.9090 5.1418 5.1418 5.2754 5.2754 5.6779 5.6779 5.7111 5.7111 5.8074 5.8074 6.4295 6.4295 6.9087 6.9087 7.7148 7.7148 9.3575 9.3575 9.8935 9.8935 10.3552 10.3552 k = 0.0000 0.0000 0.9274 ( 3444 PWs) bands (ev): -2.1194 -2.1194 -2.0523 -2.0523 -1.4836 -1.4836 -1.2796 -1.2796 -1.2097 -1.2097 3.7174 3.7174 3.8307 3.8307 3.9636 3.9636 4.0536 4.0536 4.1220 4.1220 4.1794 4.1794 4.4460 4.4460 4.8491 4.8491 4.9341 4.9341 5.1403 5.1403 5.2771 5.2771 5.6731 5.6731 5.7147 5.7147 5.8097 5.8097 6.4216 6.4216 6.8696 6.8696 7.7702 7.7702 9.2593 9.2593 9.7597 9.7597 10.4518 10.4518 k = 0.0000 0.0000 0.9077 ( 3440 PWs) bands (ev): -2.1184 -2.1184 -2.0517 -2.0517 -1.4823 -1.4823 -1.2802 -1.2802 -1.2136 -1.2136 3.6873 3.6873 3.8319 3.8319 3.9701 3.9701 4.0546 4.0546 4.1189 4.1189 4.1785 4.1785 4.4055 4.4055 4.8540 4.8540 4.9722 4.9722 5.1383 5.1383 5.2795 5.2795 5.6679 5.6679 5.7184 5.7184 5.8127 5.8127 6.4106 6.4106 6.8216 6.8216 7.8402 7.8402 9.1491 9.1491 9.6148 9.6148 10.5523 10.5523 k = 0.0000 0.0000 0.8880 ( 3448 PWs) bands (ev): -2.1172 -2.1172 -2.0511 -2.0511 -1.4806 -1.4806 -1.2809 -1.2809 -1.2187 -1.2187 3.6457 3.6457 3.8353 3.8353 3.9778 3.9778 4.0558 4.0558 4.1155 4.1155 4.1773 4.1773 4.3691 4.3691 4.8529 4.8529 5.0144 5.0144 5.1359 5.1359 5.2825 5.2825 5.6626 5.6626 5.7218 5.7218 5.8164 5.8164 6.3963 6.3963 6.7678 6.7678 7.9209 7.9209 9.0351 9.0351 9.4674 9.4674 10.6371 10.6371 k = 0.0000 0.0000 0.8682 ( 3452 PWs) bands (ev): -2.1157 -2.1157 -2.0503 -2.0503 -1.4786 -1.4786 -1.2818 -1.2818 -1.2247 -1.2247 3.5928 3.5928 3.8409 3.8409 3.9862 3.9862 4.0570 4.0570 4.1120 4.1120 4.1757 4.1757 4.3387 4.3387 4.8491 4.8491 5.0554 5.0554 5.1334 5.1334 5.2862 5.2862 5.6574 5.6574 5.7247 5.7247 5.8207 5.8207 6.3789 6.3789 6.7104 6.7104 8.0085 8.0085 8.9224 8.9224 9.3215 9.3215 10.6868 10.6868 k = 0.0000 0.0000 0.8485 ( 3454 PWs) bands (ev): -2.1141 -2.1141 -2.0494 -2.0494 -1.4761 -1.4761 -1.2829 -1.2829 -1.2318 -1.2318 3.5296 3.5296 3.8483 3.8483 3.9953 3.9953 4.0582 4.0582 4.1092 4.1092 4.1736 4.1736 4.3145 4.3145 4.8439 4.8439 5.0929 5.0929 5.1309 5.1309 5.2905 5.2905 5.6522 5.6522 5.7272 5.7272 5.8252 5.8252 6.3583 6.3583 6.6507 6.6507 8.0995 8.0995 8.8150 8.8150 9.1795 9.1795 10.6885 10.6885 k = 0.0000 0.0000 0.8288 ( 3460 PWs) bands (ev): -2.1123 -2.1123 -2.0484 -2.0484 -1.4733 -1.4733 -1.2841 -1.2841 -1.2398 -1.2398 3.4576 3.4576 3.8573 3.8573 4.0046 4.0046 4.0591 4.0591 4.1074 4.1074 4.1712 4.1712 4.2961 4.2961 4.8379 4.8379 5.1243 5.1243 5.1295 5.1295 5.2958 5.2958 5.6472 5.6472 5.7292 5.7292 5.8298 5.8298 6.3346 6.3346 6.5896 6.5896 8.1881 8.1881 8.7178 8.7178 9.0430 9.0430 10.6350 10.6350 k = 0.0000 0.0000 0.8090 ( 3464 PWs) bands (ev): -2.1103 -2.1103 -2.0472 -2.0472 -1.4701 -1.4701 -1.2854 -1.2854 -1.2486 -1.2486 3.3784 3.3784 3.8676 3.8676 4.0137 4.0137 4.0599 4.0599 4.1069 4.1069 4.1683 4.1683 4.2823 4.2823 4.8317 4.8317 5.1255 5.1255 5.1527 5.1527 5.3024 5.3024 5.6424 5.6424 5.7307 5.7307 5.8341 5.8341 6.3082 6.3082 6.5277 6.5277 8.2630 8.2630 8.6411 8.6411 8.9134 8.9134 10.5359 10.5359 k = 0.0000 0.0000 0.7893 ( 3464 PWs) bands (ev): -2.1083 -2.1083 -2.0460 -2.0460 -1.4665 -1.4665 -1.2870 -1.2870 -1.2582 -1.2582 3.2935 3.2935 3.8791 3.8791 4.0216 4.0216 4.0608 4.0608 4.1081 4.1081 4.1652 4.1652 4.2718 4.2718 4.8256 4.8256 5.1233 5.1233 5.1728 5.1728 5.3105 5.3105 5.6378 5.6378 5.7317 5.7317 5.8377 5.8377 6.2793 6.2793 6.4654 6.4654 8.2987 8.2987 8.6073 8.6073 8.7930 8.7930 10.4228 10.4228 k = 0.0000 0.0000 0.7696 ( 3460 PWs) bands (ev): -2.1062 -2.1062 -2.0447 -2.0447 -1.4625 -1.4625 -1.2888 -1.2888 -1.2683 -1.2683 3.2046 3.2046 3.8916 3.8916 4.0268 4.0268 4.0631 4.0631 4.1109 4.1109 4.1619 4.1619 4.2638 4.2638 4.8199 4.8199 5.1214 5.1214 5.1864 5.1864 5.3202 5.3202 5.6333 5.6333 5.7322 5.7322 5.8403 5.8403 6.2484 6.2484 6.4030 6.4030 8.2754 8.2754 8.6178 8.6178 8.6986 8.6986 10.3045 10.3045 k = 0.0000 0.0000 0.7498 ( 3460 PWs) bands (ev): -2.1042 -2.1042 -2.0434 -2.0434 -1.4581 -1.4581 -1.2913 -1.2913 -1.2786 -1.2786 3.1128 3.1128 3.9047 3.9047 4.0275 4.0275 4.0682 4.0682 4.1150 4.1150 4.1584 4.1584 4.2573 4.2573 4.8150 4.8150 5.1198 5.1198 5.1937 5.1937 5.3314 5.3314 5.6289 5.6289 5.7320 5.7320 5.8415 5.8415 6.2164 6.2164 6.3408 6.3408 8.2168 8.2168 8.5512 8.5512 8.7255 8.7255 10.1834 10.1834 k = 0.0000 0.0000 0.7301 ( 3468 PWs) bands (ev): -2.1022 -2.1022 -2.0421 -2.0421 -1.4534 -1.4534 -1.2961 -1.2961 -1.2873 -1.2873 3.0191 3.0191 3.9179 3.9179 4.0239 4.0239 4.0759 4.0759 4.1201 4.1201 4.1548 4.1548 4.2519 4.2519 4.8112 4.8112 5.1186 5.1186 5.1956 5.1956 5.3435 5.3435 5.6245 5.6245 5.7308 5.7308 5.8406 5.8406 6.1843 6.1843 6.2794 6.2794 8.1480 8.1480 8.4559 8.4559 8.7979 8.7979 10.0608 10.0608 k = 0.0000 0.0000 0.7104 ( 3476 PWs) bands (ev): -2.1005 -2.1005 -2.0407 -2.0407 -1.4483 -1.4483 -1.3057 -1.3057 -1.2917 -1.2917 2.9243 2.9243 3.9304 3.9304 4.0176 4.0176 4.0849 4.0849 4.1260 4.1260 4.1510 4.1510 4.2470 4.2470 4.8086 4.8086 5.1176 5.1176 5.1929 5.1929 5.3559 5.3559 5.6201 5.6201 5.7282 5.7282 5.8374 5.8374 6.1533 6.1533 6.2195 6.2195 8.0785 8.0785 8.3654 8.3654 8.8691 8.8691 9.9375 9.9375 k = 0.0000 0.0000 0.6906 ( 3480 PWs) bands (ev): -2.0989 -2.0989 -2.0393 -2.0393 -1.4429 -1.4429 -1.3175 -1.3175 -1.2943 -1.2943 2.8292 2.8292 3.9402 3.9402 4.0111 4.0111 4.0942 4.0942 4.1321 4.1321 4.1469 4.1469 4.2424 4.2424 4.8077 4.8077 5.1167 5.1167 5.1867 5.1867 5.3682 5.3682 5.6152 5.6152 5.7236 5.7236 5.8316 5.8316 6.1235 6.1235 6.1628 6.1628 8.0119 8.0119 8.2822 8.2822 8.9304 8.9304 9.8143 9.8143 k = 0.0000 0.0000 0.6709 ( 3484 PWs) bands (ev): -2.0976 -2.0976 -2.0379 -2.0379 -1.4371 -1.4371 -1.3299 -1.3299 -1.2967 -1.2967 2.7341 2.7341 3.9433 3.9433 4.0085 4.0085 4.1030 4.1030 4.1381 4.1381 4.1423 4.1423 4.2379 4.2379 4.8085 4.8085 5.1155 5.1155 5.1781 5.1781 5.3802 5.3802 5.6093 5.6093 5.7166 5.7166 5.8237 5.8237 6.0887 6.0887 6.1178 6.1178 7.9494 7.9494 8.2065 8.2065 8.9786 8.9786 9.6916 9.6916 k = 0.0000 0.0000 0.6512 ( 3484 PWs) bands (ev): -2.0966 -2.0966 -2.0365 -2.0365 -1.4309 -1.4309 -1.3425 -1.3425 -1.2990 -1.2990 2.6396 2.6396 3.9363 3.9363 4.0130 4.0130 4.1107 4.1107 4.1370 4.1370 4.1437 4.1437 4.2336 4.2336 4.8111 4.8111 5.1131 5.1131 5.1686 5.1686 5.3917 5.3917 5.6016 5.6016 5.7069 5.7069 5.8144 5.8144 6.0416 6.0416 6.0937 6.0937 7.8914 7.8914 8.1382 8.1382 9.0127 9.0127 9.5696 9.5696 k = 0.0000 0.0000 0.6314 ( 3472 PWs) bands (ev): -2.0961 -2.0961 -2.0352 -2.0352 -1.4244 -1.4244 -1.3550 -1.3550 -1.3013 -1.3013 2.5461 2.5461 3.9207 3.9207 4.0231 4.0231 4.1168 4.1168 4.1310 4.1310 4.1484 4.1484 4.2297 4.2297 4.8157 4.8157 5.1079 5.1079 5.1604 5.1604 5.4027 5.4027 5.5907 5.5907 5.6953 5.6953 5.8047 5.8047 5.9938 5.9938 6.0799 6.0799 7.8381 7.8381 8.0769 8.0769 9.0338 9.0338 9.4488 9.4488 k = 0.0000 0.0000 0.6117 ( 3476 PWs) bands (ev): -2.0962 -2.0962 -2.0339 -2.0339 -1.4176 -1.4176 -1.3675 -1.3675 -1.3037 -1.3037 2.4539 2.4539 3.8994 3.8994 4.0350 4.0350 4.1193 4.1193 4.1254 4.1254 4.1520 4.1520 4.2264 4.2264 4.8223 4.8223 5.0984 5.0984 5.1556 5.1556 5.4130 5.4130 5.5755 5.5755 5.6837 5.6837 5.7946 5.7946 5.9512 5.9512 6.0718 6.0718 7.7894 7.7894 8.0220 8.0220 9.0440 9.0440 9.3294 9.3294 k = 0.0000 0.0000 0.5920 ( 3480 PWs) bands (ev): -2.0968 -2.0968 -2.0327 -2.0327 -1.4105 -1.4105 -1.3797 -1.3797 -1.3061 -1.3061 2.3632 2.3632 3.8743 3.8743 4.0461 4.0461 4.1127 4.1127 4.1253 4.1253 4.1541 4.1541 4.2242 4.2242 4.8307 4.8307 5.0846 5.0846 5.1549 5.1549 5.4226 5.4226 5.5562 5.5562 5.6731 5.6731 5.7837 5.7837 5.9165 5.9165 6.0679 6.0679 7.7450 7.7450 7.9731 7.9731 9.0456 9.0456 9.2118 9.2118 k = 0.0000 0.0000 0.5722 ( 3468 PWs) bands (ev): -2.0981 -2.0981 -2.0315 -2.0315 -1.4031 -1.4031 -1.3915 -1.3915 -1.3085 -1.3085 2.2742 2.2742 3.8461 3.8461 4.0539 4.0539 4.1025 4.1025 4.1255 4.1255 4.1551 4.1551 4.2231 4.2231 4.8410 4.8410 5.0679 5.0679 5.1574 5.1574 5.4311 5.4311 5.5348 5.5348 5.6624 5.6624 5.7721 5.7721 5.8917 5.8917 6.0672 6.0672 7.7047 7.7047 7.9296 7.9296 9.0383 9.0383 9.0990 9.0990 k = 0.0000 0.0000 0.5525 ( 3468 PWs) bands (ev): -2.1002 -2.1002 -2.0304 -2.0304 -1.4027 -1.4027 -1.3955 -1.3955 -1.3110 -1.3110 2.1871 2.1871 3.8154 3.8154 4.0552 4.0552 4.0912 4.0912 4.1245 4.1245 4.1558 4.1558 4.2233 4.2233 4.8529 4.8529 5.0501 5.0501 5.1625 5.1625 5.4381 5.4381 5.5143 5.5143 5.6492 5.6492 5.7624 5.7624 5.8765 5.8765 6.0688 6.0688 7.6683 7.6683 7.8908 7.8908 8.9727 8.9727 9.0422 9.0422 k = 0.0000 0.0000 0.5328 ( 3472 PWs) bands (ev): -2.1031 -2.1031 -2.0293 -2.0293 -1.4133 -1.4133 -1.3877 -1.3877 -1.3134 -1.3134 2.1022 2.1022 3.7826 3.7826 4.0469 4.0469 4.0794 4.0794 4.1225 4.1225 4.1576 4.1576 4.2241 4.2241 4.8660 4.8660 5.0324 5.0324 5.1697 5.1697 5.4425 5.4425 5.4980 5.4980 5.6318 5.6318 5.7578 5.7578 5.8687 5.8687 6.0723 6.0723 7.6354 7.6354 7.8564 7.8564 8.8623 8.8623 9.0163 9.0163 k = 0.0000 0.0000 0.5130 ( 3470 PWs) bands (ev): -2.1068 -2.1068 -2.0284 -2.0284 -1.4232 -1.4232 -1.3797 -1.3797 -1.3159 -1.3159 2.0195 2.0195 3.7478 3.7478 4.0298 4.0298 4.0656 4.0656 4.1190 4.1190 4.1613 4.1613 4.2252 4.2252 4.8799 4.8799 5.0165 5.0165 5.1791 5.1791 5.4427 5.4427 5.4891 5.4891 5.6109 5.6109 5.7594 5.7594 5.8660 5.8660 6.0773 6.0773 7.6057 7.6057 7.8258 7.8258 8.7515 8.7515 8.9059 8.9059 k = 0.0000 0.0000 0.4933 ( 3478 PWs) bands (ev): -2.1114 -2.1114 -2.0276 -2.0276 -1.4322 -1.4322 -1.3717 -1.3717 -1.3184 -1.3184 1.9392 1.9392 3.7115 3.7115 4.0064 4.0064 4.0479 4.0479 4.1138 4.1138 4.1666 4.1666 4.2261 4.2261 4.8935 4.8935 5.0040 5.0040 5.1909 5.1909 5.4389 5.4389 5.4883 5.4883 5.5890 5.5890 5.7662 5.7662 5.8666 5.8666 6.0834 6.0834 7.5790 7.5790 7.7985 7.7985 8.6421 8.6421 8.7970 8.7970 k = 0.0000 0.0000 0.4736 ( 3480 PWs) bands (ev): -2.1169 -2.1169 -2.0268 -2.0268 -1.4403 -1.4403 -1.3635 -1.3635 -1.3207 -1.3207 1.8614 1.8614 3.6738 3.6738 3.9783 3.9783 4.0259 4.0259 4.1072 4.1072 4.1720 4.1720 4.2264 4.2264 4.9056 4.9056 4.9972 4.9972 5.2052 5.2052 5.4344 5.4344 5.4924 5.4924 5.5683 5.5683 5.7769 5.7769 5.8695 5.8695 6.0907 6.0907 7.5548 7.5548 7.7740 7.7740 8.5346 8.5346 8.6899 8.6899 k = 0.0000 0.0000 0.4539 ( 3476 PWs) bands (ev): -2.1233 -2.1233 -2.0261 -2.0261 -1.4475 -1.4475 -1.3553 -1.3553 -1.3230 -1.3230 1.7862 1.7862 3.6351 3.6351 3.9465 3.9465 4.0000 4.0000 4.0995 4.0995 4.1768 4.1768 4.2258 4.2258 4.9148 4.9148 4.9982 4.9982 5.2221 5.2221 5.4313 5.4313 5.4990 5.4990 5.5502 5.5502 5.7902 5.7902 5.8743 5.8743 6.0990 6.0990 7.5330 7.5330 7.7520 7.7520 8.4293 8.4293 8.5847 8.5847 k = 0.0000 0.0000 0.4341 ( 3478 PWs) bands (ev): -2.1305 -2.1305 -2.0255 -2.0255 -1.4537 -1.4537 -1.3475 -1.3475 -1.3249 -1.3249 1.7137 1.7137 3.5956 3.5956 3.9113 3.9113 3.9706 3.9706 4.0910 4.0910 4.1801 4.1801 4.2243 4.2243 4.9212 4.9212 5.0072 5.0072 5.2414 5.2414 5.4300 5.4300 5.5070 5.5070 5.5359 5.5359 5.8054 5.8054 5.8807 5.8807 6.1084 6.1084 7.5133 7.5133 7.7319 7.7319 8.3263 8.3263 8.4815 8.4815 k = 0.0000 0.0000 0.4144 ( 3478 PWs) bands (ev): -2.1384 -2.1384 -2.0251 -2.0251 -1.4589 -1.4589 -1.3406 -1.3406 -1.3257 -1.3257 1.6440 1.6440 3.5555 3.5555 3.8733 3.8733 3.9384 3.9384 4.0820 4.0820 4.1817 4.1817 4.2218 4.2218 4.9271 4.9271 5.0221 5.0221 5.2631 5.2631 5.4302 5.4302 5.5161 5.5161 5.5260 5.5260 5.8218 5.8218 5.8886 5.8886 6.1187 6.1187 7.4954 7.4954 7.7133 7.7133 8.2258 8.2258 8.3804 8.3804 k = 0.0000 0.0000 0.3947 ( 3470 PWs) bands (ev): -2.1471 -2.1471 -2.0246 -2.0246 -1.4632 -1.4632 -1.3367 -1.3367 -1.3235 -1.3235 1.5770 1.5770 3.5152 3.5152 3.8331 3.8331 3.9042 3.9042 4.0725 4.0725 4.1817 4.1817 4.2183 4.2183 4.9345 4.9345 5.0406 5.0406 5.2866 5.2866 5.4314 5.4314 5.5207 5.5207 5.5267 5.5267 5.8388 5.8388 5.8980 5.8980 6.1302 6.1302 7.4791 7.4791 7.6957 7.6957 8.1284 8.1284 8.2813 8.2813 k = 0.0000 0.0000 0.3749 ( 3456 PWs) bands (ev): -2.1563 -2.1563 -2.0243 -2.0243 -1.4666 -1.4666 -1.3367 -1.3367 -1.3175 -1.3175 1.5130 1.5130 3.4750 3.4750 3.7911 3.7911 3.8684 3.8684 4.0628 4.0628 4.1800 4.1800 4.2141 4.2141 4.9447 4.9447 5.0608 5.0608 5.3116 5.3116 5.4330 5.4330 5.5211 5.5211 5.5380 5.5380 5.8561 5.8561 5.9092 5.9092 6.1428 6.1428 7.4642 7.4642 7.6779 7.6779 8.0347 8.0347 8.1846 8.1846 k = 0.0000 0.0000 0.3552 ( 3460 PWs) bands (ev): -2.1661 -2.1661 -2.0240 -2.0240 -1.4691 -1.4691 -1.3382 -1.3382 -1.3100 -1.3100 1.4520 1.4520 3.4349 3.4349 3.7479 3.7479 3.8319 3.8319 4.0528 4.0528 4.1769 4.1769 4.2091 4.2091 4.9580 4.9580 5.0819 5.0819 5.3370 5.3370 5.4354 5.4354 5.5262 5.5262 5.5506 5.5506 5.8732 5.8732 5.9221 5.9221 6.1566 6.1566 7.4503 7.4503 7.6587 7.6587 7.9462 7.9462 8.0901 8.0901 k = 0.0000 0.0000 0.3355 ( 3462 PWs) bands (ev): -2.1763 -2.1763 -2.0238 -2.0238 -1.4709 -1.4709 -1.3401 -1.3401 -1.3022 -1.3022 1.3940 1.3940 3.3955 3.3955 3.7040 3.7040 3.7952 3.7952 4.0426 4.0426 4.1726 4.1726 4.2037 4.2037 4.9739 4.9739 5.1031 5.1031 5.3619 5.3619 5.4392 5.4392 5.5356 5.5356 5.5647 5.5647 5.8899 5.8899 5.9369 5.9369 6.1718 6.1718 7.4374 7.4374 7.6349 7.6349 7.8656 7.8656 7.9982 7.9982 k = 0.0000 0.0000 0.3157 ( 3468 PWs) bands (ev): -2.1868 -2.1868 -2.0237 -2.0237 -1.4720 -1.4720 -1.3421 -1.3421 -1.2945 -1.2945 1.3390 1.3390 3.3568 3.3568 3.6601 3.6601 3.7588 3.7588 4.0324 4.0324 4.1674 4.1674 4.1980 4.1980 4.9921 4.9921 5.1242 5.1242 5.3844 5.3844 5.4457 5.4457 5.5482 5.5482 5.5808 5.5808 5.9064 5.9064 5.9535 5.9535 6.1883 6.1883 7.4249 7.4249 7.6017 7.6017 7.7980 7.7980 7.9090 7.9090 k = 0.0000 0.0000 0.2960 ( 3468 PWs) bands (ev): -2.1974 -2.1974 -2.0236 -2.0236 -1.4725 -1.4725 -1.3441 -1.3441 -1.2868 -1.2868 1.2872 1.2872 3.3193 3.3193 3.6165 3.6165 3.7231 3.7231 4.0223 4.0223 4.1615 4.1615 4.1922 4.1922 5.0119 5.0119 5.1450 5.1450 5.4026 5.4026 5.4566 5.4566 5.5629 5.5629 5.5994 5.5994 5.9229 5.9229 5.9717 5.9717 6.2062 6.2062 7.4125 7.4125 7.5534 7.5534 7.7488 7.7488 7.8230 7.8230 k = 0.0000 0.0000 0.2763 ( 3472 PWs) bands (ev): -2.2080 -2.2080 -2.0236 -2.0236 -1.4724 -1.4724 -1.3461 -1.3461 -1.2794 -1.2794 1.2385 1.2385 3.2829 3.2829 3.5738 3.5738 3.6886 3.6886 4.0123 4.0123 4.1551 4.1551 4.1863 4.1863 5.0323 5.0323 5.1653 5.1653 5.4156 5.4156 5.4720 5.4720 5.5789 5.5789 5.6208 5.6208 5.9395 5.9395 5.9914 5.9914 6.2254 6.2254 7.3993 7.3993 7.4906 7.4906 7.7175 7.7175 7.7409 7.7409 k = 0.0000 0.0000 0.2565 ( 3472 PWs) bands (ev): -2.2185 -2.2185 -2.0236 -2.0236 -1.4719 -1.4719 -1.3480 -1.3480 -1.2723 -1.2723 1.1930 1.1930 3.2482 3.2482 3.5324 3.5324 3.6556 3.6556 4.0025 4.0025 4.1486 4.1486 4.1805 4.1805 5.0527 5.0527 5.1854 5.1854 5.4252 5.4252 5.4897 5.4897 5.5954 5.5954 5.6450 5.6450 5.9566 5.9566 6.0124 6.0124 6.2460 6.2460 7.3837 7.3837 7.4200 7.4200 7.6633 7.6633 7.6984 7.6984 k = 0.0000 0.0000 0.2368 ( 3460 PWs) bands (ev): -2.2287 -2.2287 -2.0236 -2.0236 -1.4710 -1.4710 -1.3498 -1.3498 -1.2655 -1.2655 1.1508 1.1508 3.2151 3.2151 3.4927 3.4927 3.6243 3.6243 3.9930 3.9930 4.1420 4.1420 4.1748 4.1748 5.0723 5.0723 5.2053 5.2053 5.4333 5.4333 5.5075 5.5075 5.6122 5.6122 5.6716 5.6716 5.9742 5.9742 6.0350 6.0350 6.2678 6.2678 7.3411 7.3411 7.3691 7.3691 7.5931 7.5931 7.6857 7.6857 k = 0.0000 0.0000 0.2171 ( 3460 PWs) bands (ev): -2.2385 -2.2385 -2.0237 -2.0237 -1.4699 -1.4699 -1.3515 -1.3515 -1.2591 -1.2591 1.1118 1.1118 3.1840 3.1840 3.4552 3.4552 3.5949 3.5949 3.9840 3.9840 4.1355 4.1355 4.1693 4.1693 5.0903 5.0903 5.2252 5.2252 5.4409 5.4409 5.5240 5.5240 5.6292 5.6292 5.6996 5.6996 5.9926 5.9926 6.0591 6.0591 6.2907 6.2907 7.2670 7.2670 7.3419 7.3419 7.5334 7.5334 7.6770 7.6770 k = 0.0000 0.0000 0.1973 ( 3456 PWs) bands (ev): -2.2479 -2.2479 -2.0238 -2.0238 -1.4686 -1.4686 -1.3530 -1.3530 -1.2531 -1.2531 1.0761 1.0761 3.1549 3.1549 3.4200 3.4200 3.5677 3.5677 3.9754 3.9754 4.1293 4.1293 4.1642 4.1642 5.1064 5.1064 5.2452 5.2452 5.4483 5.4483 5.5387 5.5387 5.6463 5.6463 5.7280 5.7280 6.0118 6.0118 6.0849 6.0849 6.3145 6.3145 7.1927 7.1927 7.3047 7.3047 7.4883 7.4883 7.6709 7.6709 k = 0.0000 0.0000 0.1776 ( 3449 PWs) bands (ev): -2.2567 -2.2567 -2.0239 -2.0239 -1.4672 -1.4672 -1.3545 -1.3545 -1.2475 -1.2475 1.0437 1.0437 3.1282 3.1282 3.3875 3.3875 3.5426 3.5426 3.9674 3.9674 4.1234 4.1234 4.1593 4.1593 5.1202 5.1202 5.2651 5.2651 5.4557 5.4557 5.5515 5.5515 5.6631 5.6631 5.7560 5.7560 6.0318 6.0318 6.1126 6.1126 6.3390 6.3390 7.1201 7.1201 7.2562 7.2562 7.4583 7.4583 7.6665 7.6665 k = 0.0000 0.0000 0.1579 ( 3449 PWs) bands (ev): -2.2649 -2.2649 -2.0240 -2.0240 -1.4657 -1.4657 -1.3558 -1.3558 -1.2424 -1.2424 1.0147 1.0147 3.1038 3.1038 3.3579 3.3579 3.5200 3.5200 3.9601 3.9601 4.1180 4.1180 4.1549 4.1549 5.1317 5.1317 5.2846 5.2846 5.4630 5.4630 5.5625 5.5625 5.6794 5.6794 5.7827 5.7827 6.0526 6.0526 6.1419 6.1419 6.3640 6.3640 7.0498 7.0498 7.2005 7.2005 7.4394 7.4394 7.6636 7.6636 k = 0.0000 0.0000 0.1381 ( 3451 PWs) bands (ev): -2.2723 -2.2723 -2.0241 -2.0241 -1.4643 -1.4643 -1.3570 -1.3570 -1.2379 -1.2379 0.9890 0.9890 3.0820 3.0820 3.3314 3.3314 3.4998 3.4998 3.9535 3.9535 4.1131 4.1131 4.1509 4.1509 5.1412 5.1412 5.3031 5.3031 5.4700 5.4700 5.5717 5.5717 5.6946 5.6946 5.8075 5.8075 6.0742 6.0742 6.1725 6.1725 6.3891 6.3891 6.9825 6.9825 7.1425 7.1425 7.4272 7.4272 7.6619 7.6619 k = 0.0000 0.0000 0.1184 ( 3449 PWs) bands (ev): -2.2789 -2.2789 -2.0242 -2.0242 -1.4630 -1.4630 -1.3580 -1.3580 -1.2339 -1.2339 0.9667 0.9667 3.0629 3.0629 3.3081 3.3081 3.4821 3.4821 3.9476 3.9476 4.1088 4.1088 4.1474 4.1474 5.1487 5.1487 5.3201 5.3201 5.4767 5.4767 5.5795 5.5795 5.7085 5.7085 5.8298 5.8298 6.0962 6.0962 6.2040 6.2040 6.4141 6.4141 6.9187 6.9187 7.0853 7.0853 7.4189 7.4189 7.6611 7.6611 k = 0.0000 0.0000 0.0987 ( 3441 PWs) bands (ev): -2.2845 -2.2845 -2.0243 -2.0243 -1.4617 -1.4617 -1.3589 -1.3589 -1.2305 -1.2305 0.9478 0.9478 3.0466 3.0466 3.2882 3.2882 3.4671 3.4671 3.9425 3.9425 4.1050 4.1050 4.1444 4.1444 5.1547 5.1547 5.3352 5.3352 5.4828 5.4828 5.5858 5.5858 5.7208 5.7208 5.8492 5.8492 6.1182 6.1182 6.2355 6.2355 6.4388 6.4388 6.8588 6.8588 7.0313 7.0313 7.4131 7.4131 7.6612 7.6612 k = 0.0000 0.0000 0.0789 ( 3445 PWs) bands (ev): -2.2892 -2.2892 -2.0244 -2.0244 -1.4607 -1.4607 -1.3596 -1.3596 -1.2277 -1.2277 0.9324 0.9324 3.0331 3.0331 3.2718 3.2718 3.4547 3.4547 3.9383 3.9383 4.1019 4.1019 4.1419 4.1419 5.1592 5.1592 5.3481 5.3481 5.4882 5.4882 5.5909 5.5909 5.7310 5.7310 5.8653 5.8653 6.1394 6.1394 6.2655 6.2655 6.4628 6.4628 6.8037 6.8037 6.9824 6.9824 7.4090 7.4090 7.6619 7.6619 k = 0.0000 0.0000 0.0592 ( 3447 PWs) bands (ev): -2.2929 -2.2929 -2.0245 -2.0245 -1.4599 -1.4599 -1.3602 -1.3602 -1.2255 -1.2255 0.9203 0.9203 3.0225 3.0225 3.2589 3.2589 3.4451 3.4451 3.9350 3.9350 4.0995 4.0995 4.1399 4.1399 5.1625 5.1625 5.3582 5.3582 5.4926 5.4926 5.5948 5.5948 5.7392 5.7392 5.8780 5.8780 6.1586 6.1586 6.2925 6.2925 6.4861 6.4861 6.7544 6.7544 6.9406 6.9406 7.4062 7.4062 7.6630 7.6630 k = 0.0000 0.0000 0.0395 ( 3461 PWs) bands (ev): -2.2956 -2.2956 -2.0245 -2.0245 -1.4593 -1.4593 -1.3607 -1.3607 -1.2240 -1.2240 0.9117 0.9117 3.0149 3.0149 3.2497 3.2497 3.4382 3.4382 3.9327 3.9327 4.0977 4.0977 4.1385 4.1385 5.1648 5.1648 5.3656 5.3656 5.4959 5.4959 5.5976 5.5976 5.7451 5.7451 5.8872 5.8872 6.1742 6.1742 6.3143 6.3143 6.5078 6.5078 6.7127 6.7127 6.9081 6.9081 7.4043 7.4043 7.6643 7.6643 k = 0.0000 0.0000 0.0197 ( 3463 PWs) bands (ev): -2.2972 -2.2972 -2.0246 -2.0246 -1.4589 -1.4589 -1.3609 -1.3609 -1.2230 -1.2230 0.9066 0.9066 3.0104 3.0104 3.2441 3.2441 3.4340 3.4340 3.9312 3.9312 4.0967 4.0967 4.1377 4.1377 5.1662 5.1662 5.3701 5.3701 5.4980 5.4980 5.5992 5.5992 5.7487 5.7487 5.8927 5.8927 6.1845 6.1845 6.3286 6.3286 6.5256 6.5256 6.6822 6.6822 6.8874 6.8874 7.4032 7.4032 7.6652 7.6652 k = 0.0000 0.0000 0.0000 ( 3479 PWs) bands (ev): -2.2978 -2.2978 -2.0246 -2.0246 -1.4588 -1.4588 -1.3610 -1.3610 -1.2228 -1.2228 0.9048 0.9048 3.0088 3.0088 3.2422 3.2422 3.4326 3.4326 3.9307 3.9307 4.0963 4.0963 4.1374 4.1374 5.1666 5.1666 5.3716 5.3716 5.4987 5.4987 5.5998 5.5998 5.7499 5.7499 5.8946 5.8946 6.1881 6.1881 6.3335 6.3335 6.5331 6.5331 6.6704 6.6704 6.8802 6.8802 7.4028 7.4028 7.6655 7.6655 k = 0.0000 0.0000 0.0000 ( 3479 PWs) bands (ev): -2.2978 -2.2978 -2.0246 -2.0246 -1.4588 -1.4588 -1.3610 -1.3610 -1.2228 -1.2228 0.9048 0.9048 3.0088 3.0088 3.2422 3.2422 3.4326 3.4326 3.9307 3.9307 4.0963 4.0963 4.1374 4.1374 5.1666 5.1666 5.3716 5.3716 5.4987 5.4987 5.5998 5.5998 5.7499 5.7499 5.8946 5.8946 6.1881 6.1881 6.3335 6.3335 6.5331 6.5331 6.6704 6.6704 6.8802 6.8802 7.4028 7.4028 7.6655 7.6655 k =-0.0161 0.0114 0.0000 ( 3463 PWs) bands (ev): -2.2978 -2.2978 -2.0246 -2.0246 -1.4588 -1.4588 -1.3609 -1.3609 -1.2227 -1.2227 0.9065 0.9065 3.0095 3.0095 3.2422 3.2422 3.4325 3.4325 3.9307 3.9307 4.0964 4.0964 4.1374 4.1374 5.1644 5.1644 5.3710 5.3710 5.4984 5.4984 5.5996 5.5996 5.7489 5.7489 5.8935 5.8935 6.1873 6.1873 6.3281 6.3281 6.5327 6.5327 6.6728 6.6728 6.8592 6.8592 7.4282 7.4282 7.6730 7.6730 k =-0.0323 0.0228 0.0000 ( 3465 PWs) bands (ev): -2.2978 -2.2978 -2.0244 -2.0244 -1.4588 -1.4588 -1.3608 -1.3608 -1.2226 -1.2226 0.9117 0.9117 3.0114 3.0114 3.2422 3.2422 3.4320 3.4320 3.9307 3.9307 4.0966 4.0966 4.1373 4.1373 5.1577 5.1577 5.3694 5.3694 5.4975 5.4975 5.5990 5.5990 5.7459 5.7459 5.8902 5.8902 6.1848 6.1848 6.3129 6.3129 6.5314 6.5314 6.6792 6.6792 6.8061 6.8061 7.4949 7.4949 7.6939 7.6939 k =-0.0484 0.0343 0.0000 ( 3459 PWs) bands (ev): -2.2977 -2.2977 -2.0242 -2.0242 -1.4587 -1.4587 -1.3605 -1.3605 -1.2225 -1.2225 0.9202 0.9202 3.0146 3.0146 3.2422 3.2422 3.4311 3.4311 3.9306 3.9306 4.0969 4.0969 4.1373 4.1373 5.1468 5.1468 5.3663 5.3663 5.4962 5.4962 5.5981 5.5981 5.7408 5.7408 5.8848 5.8848 6.1807 6.1807 6.2902 6.2902 6.5293 6.5293 6.6851 6.6851 6.7393 6.7393 7.5867 7.5867 7.7102 7.7102 k =-0.0645 0.0457 0.0000 ( 3457 PWs) bands (ev): -2.2977 -2.2977 -2.0240 -2.0240 -1.4586 -1.4586 -1.3601 -1.3601 -1.2224 -1.2224 0.9321 0.9321 3.0191 3.0191 3.2421 3.2421 3.4299 3.4299 3.9305 3.9305 4.0972 4.0972 4.1374 4.1374 5.1316 5.1316 5.3616 5.3616 5.4943 5.4943 5.5970 5.5970 5.7334 5.7334 5.8774 5.8774 6.1747 6.1747 6.2627 6.2627 6.5263 6.5263 6.6508 6.6508 6.7075 6.7075 7.6111 7.6111 7.6954 7.6954 k =-0.0806 0.0571 0.0000 ( 3447 PWs) bands (ev): -2.2976 -2.2976 -2.0236 -2.0236 -1.4585 -1.4585 -1.3596 -1.3596 -1.2222 -1.2222 0.9475 0.9475 3.0248 3.0248 3.2420 3.2420 3.4282 3.4282 3.9303 3.9303 4.0975 4.0975 4.1375 4.1375 5.1126 5.1126 5.3545 5.3545 5.4920 5.4920 5.5958 5.5958 5.7235 5.7235 5.8680 5.8680 6.1665 6.1665 6.2328 6.2328 6.5224 6.5224 6.5785 6.5785 6.7132 6.7132 7.4674 7.4674 7.8115 7.8115 k =-0.0968 0.0685 0.0000 ( 3447 PWs) bands (ev): -2.2975 -2.2975 -2.0232 -2.0232 -1.4584 -1.4584 -1.3589 -1.3589 -1.2220 -1.2220 0.9662 0.9662 3.0317 3.0317 3.2418 3.2418 3.4259 3.4259 3.9301 3.9301 4.0977 4.0977 4.1379 4.1379 5.0898 5.0898 5.3443 5.3443 5.4895 5.4895 5.5946 5.5946 5.7107 5.7107 5.8569 5.8569 6.1559 6.1559 6.2019 6.2019 6.5054 6.5054 6.5196 6.5196 6.7200 6.7200 7.3201 7.3201 7.9350 7.9350 k =-0.1129 0.0799 0.0000 ( 3447 PWs) bands (ev): -2.2975 -2.2975 -2.0227 -2.0227 -1.4583 -1.4583 -1.3582 -1.3582 -1.2219 -1.2219 0.9883 0.9883 3.0398 3.0398 3.2416 3.2416 3.4231 3.4231 3.9297 3.9297 4.0976 4.0976 4.1385 4.1385 5.0639 5.0639 5.3300 5.3300 5.4871 5.4871 5.5935 5.5935 5.6946 5.6946 5.8444 5.8444 6.1423 6.1423 6.1713 6.1713 6.4407 6.4407 6.5130 6.5130 6.7252 6.7252 7.1761 7.1761 8.0401 8.0401 k =-0.1290 0.0914 0.0000 ( 3447 PWs) bands (ev): -2.2974 -2.2974 -2.0222 -2.0222 -1.4582 -1.4582 -1.3575 -1.3575 -1.2216 -1.2216 1.0137 1.0137 3.0491 3.0491 3.2413 3.2413 3.4194 3.4194 3.9293 3.9293 4.0972 4.0972 4.1396 4.1396 5.0351 5.0351 5.3105 5.3105 5.4849 5.4849 5.5927 5.5927 5.6752 5.6752 5.8308 5.8308 6.1250 6.1250 6.1416 6.1416 6.3828 6.3828 6.5066 6.5066 6.7281 6.7281 7.0387 7.0387 8.1407 8.1407 k =-0.1452 0.1028 0.0000 ( 3451 PWs) bands (ev): -2.2973 -2.2973 -2.0216 -2.0216 -1.4580 -1.4580 -1.3566 -1.3566 -1.2214 -1.2214 1.0425 1.0425 3.0595 3.0595 3.2408 3.2408 3.4148 3.4148 3.9286 3.9286 4.0963 4.0963 4.1411 4.1411 5.0039 5.0039 5.2849 5.2849 5.4834 5.4834 5.5921 5.5921 5.6521 5.6521 5.8165 5.8165 6.1030 6.1030 6.1138 6.1138 6.3338 6.3338 6.4994 6.4994 6.7274 6.7274 6.9114 6.9114 8.2502 8.2502 k =-0.1613 0.1142 0.0000 ( 3457 PWs) bands (ev): -2.2972 -2.2972 -2.0209 -2.0209 -1.4579 -1.4579 -1.3557 -1.3557 -1.2212 -1.2212 1.0747 1.0747 3.0709 3.0709 3.2402 3.2402 3.4091 3.4091 3.9278 3.9278 4.0947 4.0947 4.1433 4.1433 4.9709 4.9709 5.2524 5.2524 5.4826 5.4826 5.5919 5.5919 5.6254 5.6254 5.8016 5.8016 6.0768 6.0768 6.0874 6.0874 6.2937 6.2937 6.4911 6.4911 6.7157 6.7157 6.8037 6.8037 8.3675 8.3675 k =-0.1774 0.1256 0.0000 ( 3461 PWs) bands (ev): -2.2971 -2.2971 -2.0203 -2.0203 -1.4578 -1.4578 -1.3547 -1.3547 -1.2209 -1.2209 1.1101 1.1101 3.0834 3.0834 3.2394 3.2394 3.4021 3.4021 3.9267 3.9267 4.0925 4.0925 4.1462 4.1462 4.9364 4.9364 5.2129 5.2129 5.4824 5.4824 5.5900 5.5900 5.5971 5.5971 5.7864 5.7864 6.0494 6.0494 6.0606 6.0606 6.2615 6.2615 6.4815 6.4815 6.6566 6.6566 6.7545 6.7545 8.4919 8.4919 k =-0.1935 0.1371 0.0000 ( 3468 PWs) bands (ev): -2.2971 -2.2971 -2.0196 -2.0196 -1.4576 -1.4576 -1.3537 -1.3537 -1.2206 -1.2206 1.1488 1.1488 3.0967 3.0967 3.2385 3.2385 3.3933 3.3933 3.9254 3.9254 4.0896 4.0896 4.1497 4.1497 4.9009 4.9009 5.1669 5.1669 5.4824 5.4824 5.5600 5.5600 5.5936 5.5936 5.7710 5.7710 6.0227 6.0227 6.0324 6.0324 6.2355 6.2355 6.4696 6.4696 6.5717 6.5717 6.7447 6.7447 8.6226 8.6226 k =-0.2097 0.1485 0.0000 ( 3472 PWs) bands (ev): -2.2969 -2.2969 -2.0189 -2.0189 -1.4575 -1.4575 -1.3526 -1.3526 -1.2203 -1.2203 1.1907 1.1907 3.1109 3.1109 3.2374 3.2374 3.3826 3.3826 3.9237 3.9237 4.0860 4.0860 4.1539 4.1539 4.8646 4.8646 5.1155 5.1155 5.4801 5.4801 5.5241 5.5241 5.5944 5.5944 5.7553 5.7553 5.9979 5.9979 6.0032 6.0032 6.2138 6.2138 6.4497 6.4497 6.5018 6.5018 6.7406 6.7406 8.7591 8.7591 k =-0.2258 0.1599 0.0000 ( 3472 PWs) bands (ev): -2.2968 -2.2968 -2.0181 -2.0181 -1.4573 -1.4573 -1.3515 -1.3515 -1.2200 -1.2200 1.2359 1.2359 3.1258 3.1258 3.2361 3.2361 3.3694 3.3694 3.9215 3.9215 4.0819 4.0819 4.1587 4.1587 4.8277 4.8277 5.0603 5.0603 5.4607 5.4607 5.5008 5.5008 5.5958 5.5958 5.7397 5.7397 5.9733 5.9733 5.9757 5.9757 6.1950 6.1950 6.4069 6.4069 6.4670 6.4670 6.7374 6.7374 8.9008 8.9008 k =-0.2419 0.1713 0.0000 ( 3480 PWs) bands (ev): -2.2967 -2.2967 -2.0173 -2.0173 -1.4571 -1.4571 -1.3504 -1.3504 -1.2197 -1.2197 1.2842 1.2842 3.1412 3.1412 3.2345 3.2345 3.3534 3.3534 3.9189 3.9189 4.0772 4.0772 4.1641 4.1641 4.7901 4.7901 5.0033 5.0033 5.4162 5.4162 5.4978 5.4978 5.5975 5.5975 5.7245 5.7245 5.9435 5.9435 5.9564 5.9564 6.1779 6.1779 6.3581 6.3581 6.4505 6.4505 6.7344 6.7344 9.0474 9.0474 k =-0.2581 0.1827 0.0000 ( 3472 PWs) bands (ev): -2.2966 -2.2966 -2.0165 -2.0165 -1.4570 -1.4570 -1.3492 -1.3492 -1.2194 -1.2194 1.3356 1.3356 3.1570 3.1570 3.2328 3.2328 3.3341 3.3341 3.9156 3.9156 4.0721 4.0721 4.1702 4.1702 4.7517 4.7517 4.9466 4.9466 5.3627 5.3627 5.4996 5.4996 5.5994 5.5994 5.7099 5.7099 5.9145 5.9145 5.9401 5.9401 6.1620 6.1620 6.3174 6.3174 6.4370 6.4370 6.7314 6.7314 9.1984 9.1984 k =-0.2742 0.1942 0.0000 ( 3466 PWs) bands (ev): -2.2965 -2.2965 -2.0157 -2.0157 -1.4568 -1.4568 -1.3480 -1.3480 -1.2190 -1.2190 1.3901 1.3901 3.1728 3.1728 3.2309 3.2309 3.3110 3.3110 3.9118 3.9118 4.0667 4.0667 4.1767 4.1767 4.7121 4.7121 4.8926 4.8926 5.3047 5.3047 5.5024 5.5024 5.6016 5.6016 5.6962 5.6962 5.8872 5.8872 5.9265 5.9265 6.1469 6.1469 6.2857 6.2857 6.4240 6.4240 6.7285 6.7285 9.3535 9.3535 k =-0.2903 0.2056 0.0000 ( 3460 PWs) bands (ev): -2.2963 -2.2963 -2.0150 -2.0150 -1.4566 -1.4566 -1.3469 -1.3469 -1.2187 -1.2187 1.4475 1.4475 3.1876 3.1876 3.2290 3.2290 3.2842 3.2842 3.9073 3.9073 4.0613 4.0613 4.1838 4.1838 4.6712 4.6712 4.8432 4.8432 5.2442 5.2442 5.5056 5.5056 5.6039 5.6039 5.6835 5.6835 5.8621 5.8621 5.9153 5.9153 6.1322 6.1322 6.2615 6.2615 6.4109 6.4109 6.7256 6.7256 9.5124 9.5124 k =-0.3065 0.2170 0.0000 ( 3464 PWs) bands (ev): -2.2963 -2.2963 -2.0142 -2.0142 -1.4564 -1.4564 -1.3458 -1.3458 -1.2184 -1.2184 1.5079 1.5079 3.1976 3.1976 3.2283 3.2283 3.2556 3.2556 3.9021 3.9021 4.0561 4.0561 4.1915 4.1915 4.6294 4.6294 4.7994 4.7994 5.1829 5.1829 5.5088 5.5088 5.6061 5.6061 5.6718 5.6718 5.8394 5.8394 5.9062 5.9062 6.1181 6.1181 6.2432 6.2432 6.3978 6.3978 6.7227 6.7227 9.6748 9.6748 k =-0.3226 0.2284 0.0000 ( 3470 PWs) bands (ev): -2.2962 -2.2962 -2.0135 -2.0135 -1.4563 -1.4563 -1.3447 -1.3447 -1.2181 -1.2181 1.5711 1.5711 3.1873 3.1873 3.2309 3.2309 3.2380 3.2380 3.8964 3.8964 4.0512 4.0512 4.1996 4.1996 4.5878 4.5878 4.7615 4.7615 5.1222 5.1222 5.5120 5.5120 5.6081 5.6081 5.6613 5.6613 5.8194 5.8194 5.8986 5.8986 6.1045 6.1045 6.2297 6.2297 6.3845 6.3845 6.7200 6.7200 9.8402 9.8402 k =-0.3387 0.2398 0.0000 ( 3478 PWs) bands (ev): -2.2961 -2.2961 -2.0129 -2.0129 -1.4561 -1.4561 -1.3437 -1.3437 -1.2178 -1.2178 1.6370 1.6370 3.1503 3.1503 3.2253 3.2253 3.2487 3.2487 3.8902 3.8902 4.0469 4.0469 4.2083 4.2083 4.5479 4.5479 4.7288 4.7288 5.0632 5.0632 5.5149 5.5149 5.6095 5.6095 5.6520 5.6520 5.8021 5.8021 5.8925 5.8925 6.0915 6.0915 6.2200 6.2200 6.3712 6.3712 6.7174 6.7174 10.0084 10.0084 k =-0.3548 0.2513 0.0000 ( 3472 PWs) bands (ev): -2.2960 -2.2960 -2.0122 -2.0122 -1.4560 -1.4560 -1.3428 -1.3428 -1.2175 -1.2175 1.7055 1.7055 3.1007 3.1007 3.2217 3.2217 3.2632 3.2632 3.8837 3.8837 4.0432 4.0432 4.2174 4.2174 4.5109 4.5109 4.7005 4.7005 5.0069 5.0069 5.5174 5.5174 5.6099 5.6099 5.6444 5.6444 5.7876 5.7876 5.8873 5.8873 6.0793 6.0793 6.2132 6.2132 6.3579 6.3579 6.7150 6.7150 10.1790 10.1790 k =-0.3710 0.2627 0.0000 ( 3472 PWs) bands (ev): -2.2959 -2.2959 -2.0116 -2.0116 -1.4558 -1.4558 -1.3419 -1.3419 -1.2173 -1.2173 1.7764 1.7764 3.0434 3.0434 3.2189 3.2189 3.2778 3.2778 3.8773 3.8773 4.0403 4.0403 4.2270 4.2270 4.4778 4.4778 4.6756 4.6756 4.9543 4.9543 5.5197 5.5197 5.6086 5.6086 5.6389 5.6389 5.7758 5.7758 5.8830 5.8830 6.0678 6.0678 6.2089 6.2089 6.3448 6.3448 6.7129 6.7129 10.3513 10.3513 k =-0.3871 0.2741 0.0000 ( 3476 PWs) bands (ev): -2.2958 -2.2958 -2.0111 -2.0111 -1.4557 -1.4557 -1.3411 -1.3411 -1.2170 -1.2170 1.8496 1.8496 2.9800 2.9800 3.2165 3.2165 3.2918 3.2918 3.8712 3.8712 4.0380 4.0380 4.2370 4.2370 4.4491 4.4491 4.6533 4.6533 4.9061 4.9061 5.5215 5.5215 5.6055 5.6055 5.6356 5.6356 5.7667 5.7667 5.8793 5.8793 6.0573 6.0573 6.2067 6.2067 6.3320 6.3320 6.7109 6.7109 10.5248 10.5248 k =-0.4032 0.2855 0.0000 ( 3474 PWs) bands (ev): -2.2958 -2.2958 -2.0106 -2.0106 -1.4556 -1.4556 -1.3404 -1.3404 -1.2168 -1.2168 1.9247 1.9247 2.9114 2.9114 3.2143 3.2143 3.3046 3.3046 3.8655 3.8655 4.0364 4.0364 4.2474 4.2474 4.4249 4.4249 4.6331 4.6331 4.8631 4.8631 5.5230 5.5230 5.6011 5.6011 5.6339 5.6339 5.7601 5.7601 5.8760 5.8760 6.0478 6.0478 6.2061 6.2061 6.3196 6.3196 6.7092 6.7092 10.6983 10.6983 k =-0.4194 0.2970 0.0000 ( 3470 PWs) bands (ev): -2.2957 -2.2957 -2.0102 -2.0102 -1.4555 -1.4555 -1.3398 -1.3398 -1.2166 -1.2166 2.0015 2.0015 2.8387 2.8387 3.2124 3.2124 3.3160 3.3160 3.8606 3.8606 4.0354 4.0354 4.2579 4.2579 4.4051 4.4051 4.6145 4.6145 4.8261 4.8261 5.5241 5.5241 5.5963 5.5963 5.6331 5.6331 5.7557 5.7557 5.8732 5.8732 6.0395 6.0395 6.2071 6.2071 6.3079 6.3079 6.7077 6.7077 10.8704 10.8704 k =-0.4355 0.3084 0.0000 ( 3470 PWs) bands (ev): -2.2957 -2.2957 -2.0099 -2.0099 -1.4554 -1.4554 -1.3393 -1.3393 -1.2165 -1.2165 2.0795 2.0795 2.7630 2.7630 3.2107 3.2107 3.3258 3.3258 3.8564 3.8564 4.0347 4.0347 4.2682 4.2682 4.3894 4.3894 4.5975 4.5975 4.7956 4.7956 5.5249 5.5249 5.5919 5.5919 5.6325 5.6325 5.7530 5.7530 5.8707 5.8707 6.0325 6.0325 6.2091 6.2091 6.2970 6.2970 6.7065 6.7065 11.0385 11.0385 k =-0.4516 0.3198 0.0000 ( 3474 PWs) bands (ev): -2.2956 -2.2956 -2.0096 -2.0096 -1.4554 -1.4554 -1.3389 -1.3389 -1.2163 -1.2163 2.1578 2.1578 2.6859 2.6859 3.2094 3.2094 3.3336 3.3336 3.8532 3.8532 4.0344 4.0344 4.2777 4.2777 4.3774 4.3774 4.5825 4.5825 4.7720 4.7720 5.5254 5.5254 5.5881 5.5881 5.6320 5.6320 5.7515 5.7515 5.8686 5.8686 6.0270 6.0270 6.2119 6.2119 6.2874 6.2874 6.7055 6.7055 11.1981 11.1981 k =-0.4677 0.3312 0.0000 ( 3472 PWs) bands (ev): -2.2956 -2.2956 -2.0094 -2.0094 -1.4553 -1.4553 -1.3386 -1.3386 -1.2163 -1.2163 2.2345 2.2345 2.6097 2.6097 3.2084 3.2084 3.3393 3.3393 3.8508 3.8508 4.0342 4.0342 4.2858 4.2858 4.3689 4.3689 4.5704 4.5704 4.7554 4.7554 5.5257 5.5257 5.5854 5.5854 5.6317 5.6317 5.7510 5.7510 5.8671 5.8671 6.0230 6.0230 6.2150 6.2150 6.2795 6.2795 6.7049 6.7049 11.3405 11.3405 k =-0.4839 0.3426 0.0000 ( 3476 PWs) bands (ev): -2.2956 -2.2956 -2.0093 -2.0093 -1.4553 -1.4553 -1.3384 -1.3384 -1.2162 -1.2162 2.3033 2.3033 2.5410 2.5410 3.2078 3.2078 3.3428 3.3428 3.8494 3.8494 4.0342 4.0342 4.2913 4.2913 4.3637 4.3637 4.5624 4.5624 4.7456 4.7456 5.5258 5.5258 5.5837 5.5837 5.6314 5.6314 5.7508 5.7508 5.8661 5.8661 6.0206 6.0206 6.2174 6.2174 6.2741 6.2741 6.7045 6.7045 11.4492 11.4492 k =-0.5000 0.3541 0.0000 ( 3478 PWs) bands (ev): -2.2956 -2.2956 -2.0093 -2.0093 -1.4553 -1.4553 -1.3384 -1.3384 -1.2162 -1.2162 2.3382 2.3382 2.5060 2.5060 3.2076 3.2076 3.3440 3.3440 3.8489 3.8489 4.0341 4.0341 4.2932 4.2932 4.3620 4.3620 4.5595 4.5595 4.7424 4.7424 5.5259 5.5259 5.5831 5.5831 5.6313 5.6313 5.7508 5.7508 5.8657 5.8657 6.0198 6.0198 6.2184 6.2184 6.2722 6.2722 6.7043 6.7043 11.4934 11.4934 k =-0.5000 0.3541 0.0000 ( 3478 PWs) bands (ev): -2.2956 -2.2956 -2.0093 -2.0093 -1.4553 -1.4553 -1.3384 -1.3384 -1.2162 -1.2162 2.3382 2.3382 2.5060 2.5060 3.2076 3.2076 3.3440 3.3440 3.8489 3.8489 4.0341 4.0341 4.2932 4.2932 4.3620 4.3620 4.5595 4.5595 4.7424 4.7424 5.5259 5.5259 5.5831 5.5831 5.6313 5.6313 5.7508 5.7508 5.8657 5.8657 6.0198 6.0198 6.2184 6.2184 6.2722 6.2722 6.7043 6.7043 11.4934 11.4934 k =-0.4887 0.3701-0.0000 ( 3480 PWs) bands (ev): -2.2956 -2.2956 -2.0093 -2.0093 -1.4553 -1.4553 -1.3384 -1.3384 -1.2162 -1.2162 2.3388 2.3388 2.5073 2.5073 3.1956 3.1956 3.3517 3.3517 3.8495 3.8495 4.0342 4.0342 4.2929 4.2929 4.3619 4.3619 4.5469 4.5469 4.7573 4.7573 5.5260 5.5260 5.5834 5.5834 5.6317 5.6317 5.7506 5.7506 5.8628 5.8628 6.0235 6.0235 6.2183 6.2183 6.2724 6.2724 6.7076 6.7076 11.4162 11.4162 k =-0.4773 0.3861-0.0000 ( 3472 PWs) bands (ev): -2.2956 -2.2956 -2.0093 -2.0093 -1.4553 -1.4553 -1.3384 -1.3384 -1.2162 -1.2162 2.3406 2.3406 2.5111 2.5111 3.1650 3.1650 3.3694 3.3694 3.8513 3.8513 4.0342 4.0342 4.2921 4.2921 4.3617 4.3617 4.5176 4.5176 4.7935 4.7935 5.5266 5.5266 5.5843 5.5843 5.6327 5.6327 5.7502 5.7502 5.8548 5.8548 6.0337 6.0337 6.2182 6.2182 6.2732 6.2732 6.7175 6.7175 11.3156 11.3156 k =-0.4660 0.4021-0.0000 ( 3464 PWs) bands (ev): -2.2956 -2.2956 -2.0093 -2.0093 -1.4553 -1.4553 -1.3384 -1.3384 -1.2162 -1.2162 2.3435 2.3435 2.5175 2.5175 3.1236 3.1236 3.3899 3.3899 3.8542 3.8542 4.0343 4.0343 4.2908 4.2908 4.3612 4.3612 4.4829 4.4829 4.8393 4.8393 5.5275 5.5275 5.5858 5.5858 5.6342 5.6342 5.7496 5.7496 5.8434 5.8434 6.0485 6.0485 6.2181 6.2181 6.2745 6.2745 6.7344 6.7344 11.2190 11.2190 k =-0.4547 0.4181-0.0000 ( 3464 PWs) bands (ev): -2.2956 -2.2956 -2.0093 -2.0093 -1.4553 -1.4553 -1.3385 -1.3385 -1.2162 -1.2162 2.3472 2.3472 2.5263 2.5263 3.0753 3.0753 3.4098 3.4098 3.8582 3.8582 4.0344 4.0344 4.2891 4.2891 4.3603 4.3603 4.4484 4.4484 4.8888 4.8888 5.5289 5.5289 5.5880 5.5880 5.6362 5.6362 5.7487 5.7487 5.8302 5.8302 6.0659 6.0659 6.2181 6.2181 6.2762 6.2762 6.7585 6.7585 11.1282 11.1282 k =-0.4433 0.4341-0.0000 ( 3472 PWs) bands (ev): -2.2956 -2.2956 -2.0094 -2.0094 -1.4554 -1.4554 -1.3385 -1.3385 -1.2163 -1.2163 2.3514 2.3514 2.5376 2.5376 3.0224 3.0224 3.4279 3.4279 3.8635 3.8635 4.0345 4.0345 4.2872 4.2872 4.3585 4.3585 4.4167 4.4167 4.9389 4.9389 5.5308 5.5308 5.5908 5.5908 5.6384 5.6384 5.7474 5.7474 5.8165 5.8165 6.0844 6.0844 6.2184 6.2184 6.2784 6.2784 6.7904 6.7904 11.0437 11.0437 k =-0.4320 0.4501-0.0000 ( 3468 PWs) bands (ev): -2.2956 -2.2956 -2.0095 -2.0095 -1.4554 -1.4554 -1.3386 -1.3386 -1.2164 -1.2164 2.3555 2.3555 2.5512 2.5512 2.9664 2.9664 3.4440 3.4440 3.8700 3.8700 4.0346 4.0346 4.2850 4.2850 4.3543 4.3543 4.3903 4.3903 4.9880 4.9880 5.5333 5.5333 5.5942 5.5942 5.6407 5.6407 5.7458 5.7458 5.8029 5.8029 6.1026 6.1026 6.2191 6.2191 6.2811 6.2811 6.8304 6.8304 10.9656 10.9656 k =-0.4207 0.4661-0.0000 ( 3464 PWs) bands (ev): -2.2956 -2.2956 -2.0095 -2.0095 -1.4554 -1.4554 -1.3387 -1.3387 -1.2164 -1.2164 2.3587 2.3587 2.5670 2.5670 2.9090 2.9090 3.4580 3.4580 3.8776 3.8776 4.0348 4.0348 4.2827 4.2827 4.3433 4.3433 4.3741 4.3741 5.0351 5.0351 5.5365 5.5365 5.5982 5.5982 5.6430 5.6430 5.7435 5.7435 5.7903 5.7903 6.1195 6.1195 6.2207 6.2207 6.2841 6.2841 6.8788 6.8788 10.8939 10.8939 k =-0.4094 0.4821-0.0000 ( 3464 PWs) bands (ev): -2.2956 -2.2956 -2.0097 -2.0097 -1.4555 -1.4555 -1.3389 -1.3389 -1.2165 -1.2165 2.3598 2.3598 2.5850 2.5850 2.8522 2.8522 3.4700 3.4700 3.8865 3.8865 4.0351 4.0351 4.2802 4.2802 4.3254 4.3254 4.3683 4.3683 5.0793 5.0793 5.5404 5.5404 5.6025 5.6025 5.6451 5.6451 5.7403 5.7403 5.7794 5.7794 6.1340 6.1340 6.2236 6.2236 6.2876 6.2876 6.9355 6.9355 10.8284 10.8284 k =-0.3980 0.4981-0.0000 ( 3468 PWs) bands (ev): -2.2956 -2.2956 -2.0098 -2.0098 -1.4556 -1.4556 -1.3391 -1.3391 -1.2166 -1.2166 2.3567 2.3567 2.6049 2.6049 2.7984 2.7984 3.4803 3.4803 3.8964 3.8964 4.0355 4.0355 4.2772 4.2772 4.3070 4.3070 4.3667 4.3667 5.1201 5.1201 5.5452 5.5452 5.6070 5.6070 5.6469 5.6469 5.7359 5.7359 5.7710 5.7710 6.1453 6.1453 6.2284 6.2284 6.2916 6.2916 7.0002 7.0002 10.7684 10.7684 k =-0.3867 0.5141-0.0000 ( 3472 PWs) bands (ev): -2.2956 -2.2956 -2.0100 -2.0100 -1.4556 -1.4556 -1.3393 -1.3393 -1.2167 -1.2167 2.3467 2.3467 2.6266 2.6266 2.7512 2.7512 3.4890 3.4890 3.9075 3.9075 4.0363 4.0363 4.2732 4.2732 4.2913 4.2913 4.3668 4.3668 5.1574 5.1574 5.5509 5.5509 5.6113 5.6113 5.6483 5.6483 5.7303 5.7303 5.7654 5.7654 6.1533 6.1533 6.2352 6.2352 6.2962 6.2962 7.0724 7.0724 10.7124 10.7124 k =-0.3754 0.5301-0.0000 ( 3474 PWs) bands (ev): -2.2957 -2.2957 -2.0102 -2.0102 -1.4557 -1.4557 -1.3395 -1.3395 -1.2168 -1.2168 2.3268 2.3268 2.6495 2.6495 2.7142 2.7142 3.4964 3.4964 3.9195 3.9195 4.0375 4.0375 4.2660 4.2660 4.2806 4.2806 4.3683 4.3683 5.1911 5.1911 5.5574 5.5574 5.6151 5.6151 5.6490 5.6490 5.7248 5.7248 5.7623 5.7623 6.1582 6.1582 6.2436 6.2436 6.3014 6.3014 7.1513 7.1513 10.6566 10.6566 k =-0.3754 0.5301-0.0000 ( 3474 PWs) bands (ev): -2.2957 -2.2957 -2.0102 -2.0102 -1.4557 -1.4557 -1.3395 -1.3395 -1.2168 -1.2168 2.3268 2.3268 2.6495 2.6495 2.7142 2.7142 3.4964 3.4964 3.9195 3.9195 4.0375 4.0375 4.2660 4.2660 4.2806 4.2806 4.3683 4.3683 5.1911 5.1911 5.5574 5.5574 5.6151 5.6151 5.6490 5.6490 5.7248 5.7248 5.7623 5.7623 6.1582 6.1582 6.2436 6.2436 6.3014 6.3014 7.1513 7.1513 10.6566 10.6566 k =-0.3754 0.5301 0.0197 ( 3468 PWs) bands (ev): -2.2951 -2.2951 -2.0102 -2.0102 -1.4558 -1.4558 -1.3395 -1.3395 -1.2171 -1.2171 2.3280 2.3280 2.6517 2.6517 2.7162 2.7162 3.4980 3.4980 3.9200 3.9200 4.0377 4.0377 4.2659 4.2659 4.2804 4.2804 4.3686 4.3686 5.1885 5.1885 5.5586 5.5586 5.6143 5.6143 5.6497 5.6497 5.7248 5.7248 5.7623 5.7623 6.1578 6.1578 6.2430 6.2430 6.3012 6.3012 7.1528 7.1528 10.6578 10.6578 k =-0.3754 0.5301 0.0395 ( 3468 PWs) bands (ev): -2.2935 -2.2935 -2.0102 -2.0102 -1.4563 -1.4563 -1.3393 -1.3393 -1.2182 -1.2182 2.3318 2.3318 2.6580 2.6580 2.7223 2.7223 3.5026 3.5026 3.9217 3.9217 4.0383 4.0383 4.2656 4.2656 4.2796 4.2796 4.3693 4.3693 5.1809 5.1809 5.5619 5.5619 5.6122 5.6122 5.6517 5.6517 5.7249 5.7249 5.7624 5.7624 6.1565 6.1565 6.2414 6.2414 6.3009 6.3009 7.1574 7.1574 10.6613 10.6613 k =-0.3754 0.5301 0.0592 ( 3465 PWs) bands (ev): -2.2909 -2.2909 -2.0103 -2.0103 -1.4571 -1.4571 -1.3390 -1.3390 -1.2200 -1.2200 2.3381 2.3381 2.6685 2.6685 2.7325 2.7325 3.5104 3.5104 3.9244 3.9244 4.0392 4.0392 4.2651 4.2651 4.2784 4.2784 4.3705 4.3705 5.1687 5.1687 5.5665 5.5665 5.6093 5.6093 5.6547 5.6547 5.7253 5.7253 5.7624 5.7624 6.1544 6.1544 6.2389 6.2389 6.3003 6.3003 7.1648 7.1648 10.6670 10.6670 k =-0.3754 0.5301 0.0789 ( 3467 PWs) bands (ev): -2.2872 -2.2872 -2.0104 -2.0104 -1.4581 -1.4581 -1.3387 -1.3387 -1.2224 -1.2224 2.3470 2.3470 2.6832 2.6832 2.7466 2.7466 3.5212 3.5212 3.9283 3.9283 4.0404 4.0404 4.2642 4.2642 4.2768 4.2768 4.3721 4.3721 5.1527 5.1527 5.5713 5.5713 5.6065 5.6065 5.6583 5.6583 5.7262 5.7262 5.7623 5.7623 6.1515 6.1515 6.2355 6.2355 6.2995 6.2995 7.1751 7.1751 10.6750 10.6750 k =-0.3754 0.5301 0.0987 ( 3459 PWs) bands (ev): -2.2825 -2.2825 -2.0105 -2.0105 -1.4594 -1.4594 -1.3382 -1.3382 -1.2255 -1.2255 2.3582 2.3582 2.7020 2.7020 2.7648 2.7648 3.5351 3.5351 3.9332 3.9332 4.0420 4.0420 4.2630 4.2630 4.2750 4.2750 4.3743 4.3743 5.1336 5.1336 5.5742 5.5742 5.6053 5.6053 5.6621 5.6621 5.7277 5.7277 5.7618 5.7618 6.1479 6.1479 6.2315 6.2315 6.2987 6.2987 7.1882 7.1882 10.6851 10.6851 k =-0.3754 0.5301 0.1184 ( 3457 PWs) bands (ev): -2.2769 -2.2769 -2.0107 -2.0107 -1.4609 -1.4609 -1.3376 -1.3376 -1.2293 -1.2293 2.3720 2.3720 2.7249 2.7249 2.7868 2.7868 3.5518 3.5518 3.9392 3.9392 4.0438 4.0438 4.2612 4.2612 4.2731 4.2731 4.3769 4.3769 5.1121 5.1121 5.5737 5.5737 5.6068 5.6068 5.6657 5.6657 5.7302 5.7302 5.7608 5.7608 6.1437 6.1437 6.2273 6.2273 6.2979 6.2979 7.2038 7.2038 10.6974 10.6974 k =-0.3754 0.5301 0.1381 ( 3460 PWs) bands (ev): -2.2704 -2.2704 -2.0109 -2.0109 -1.4625 -1.4625 -1.3369 -1.3369 -1.2337 -1.2337 2.3881 2.3881 2.7518 2.7518 2.8127 2.8127 3.5715 3.5715 3.9462 3.9462 4.0459 4.0459 4.2588 4.2588 4.2712 4.2712 4.3800 4.3800 5.0889 5.0889 5.5699 5.5699 5.6107 5.6107 5.6687 5.6687 5.7340 5.7340 5.7593 5.7593 6.1389 6.1389 6.2230 6.2230 6.2973 6.2973 7.2219 7.2219 10.7117 10.7117 k =-0.3754 0.5301 0.1579 ( 3459 PWs) bands (ev): -2.2631 -2.2631 -2.0112 -2.0112 -1.4643 -1.4643 -1.3361 -1.3361 -1.2387 -1.2387 2.4065 2.4065 2.7827 2.7827 2.8424 2.8424 3.5938 3.5938 3.9542 3.9542 4.0482 4.0482 4.2557 4.2557 4.2697 4.2697 4.3836 4.3836 5.0645 5.0645 5.5640 5.5640 5.6156 5.6156 5.6707 5.6707 5.7388 5.7388 5.7574 5.7574 6.1338 6.1338 6.2189 6.2189 6.2970 6.2970 7.2424 7.2424 10.7278 10.7278 k =-0.3754 0.5301 0.1776 ( 3458 PWs) bands (ev): -2.2551 -2.2551 -2.0115 -2.0115 -1.4661 -1.4661 -1.3353 -1.3353 -1.2443 -1.2443 2.4273 2.4273 2.8173 2.8173 2.8756 2.8756 3.6188 3.6188 3.9631 3.9631 4.0506 4.0506 4.2520 4.2520 4.2685 4.2685 4.3877 4.3877 5.0396 5.0396 5.5570 5.5570 5.6208 5.6208 5.6716 5.6716 5.7435 5.7435 5.7559 5.7559 6.1284 6.1284 6.2153 6.2153 6.2971 6.2971 7.2650 7.2650 10.7458 10.7458 k =-0.3754 0.5301 0.1973 ( 3456 PWs) bands (ev): -2.2464 -2.2464 -2.0119 -2.0119 -1.4679 -1.4679 -1.3343 -1.3343 -1.2504 -1.2504 2.4503 2.4503 2.8555 2.8555 2.9124 2.9124 3.6462 3.6462 3.9730 3.9730 4.0530 4.0530 4.2477 4.2477 4.2676 4.2676 4.3922 4.3922 5.0145 5.0145 5.5494 5.5494 5.6257 5.6257 5.6714 5.6714 5.7445 5.7445 5.7581 5.7581 6.1229 6.1229 6.2125 6.2125 6.2977 6.2977 7.2897 7.2897 10.7654 10.7654 k =-0.3754 0.5301 0.2171 ( 3454 PWs) bands (ev): -2.2371 -2.2371 -2.0122 -2.0122 -1.4697 -1.4697 -1.3333 -1.3333 -1.2570 -1.2570 2.4754 2.4754 2.8973 2.8973 2.9524 2.9524 3.6758 3.6758 3.9838 3.9838 4.0555 4.0555 4.2431 4.2431 4.2672 4.2672 4.3972 4.3972 4.9898 4.9898 5.5415 5.5415 5.6303 5.6303 5.6703 5.6703 5.7411 5.7411 5.7642 5.7642 6.1176 6.1176 6.2105 6.2105 6.2992 6.2992 7.3164 7.3164 10.7866 10.7866 k =-0.3754 0.5301 0.2368 ( 3454 PWs) bands (ev): -2.2274 -2.2274 -2.0127 -2.0127 -1.4712 -1.4712 -1.3322 -1.3322 -1.2641 -1.2641 2.5026 2.5026 2.9424 2.9424 2.9956 2.9956 3.7074 3.7074 3.9954 3.9954 4.0579 4.0579 4.2383 4.2383 4.2672 4.2672 4.4026 4.4026 4.9659 4.9659 5.5335 5.5335 5.6342 5.6342 5.6687 5.6687 5.7359 5.7359 5.7714 5.7714 6.1126 6.1126 6.2094 6.2094 6.3015 6.3015 7.3450 7.3450 10.8091 10.8091 k =-0.3754 0.5301 0.2565 ( 3458 PWs) bands (ev): -2.2174 -2.2174 -2.0133 -2.0133 -1.4725 -1.4725 -1.3311 -1.3311 -1.2716 -1.2716 2.5319 2.5319 2.9904 2.9904 3.0415 3.0415 3.7405 3.7405 4.0078 4.0078 4.0603 4.0603 4.2335 4.2335 4.2680 4.2680 4.4084 4.4084 4.9434 4.9434 5.5254 5.5254 5.6370 5.6370 5.6672 5.6672 5.7299 5.7299 5.7785 5.7785 6.1082 6.1082 6.2092 6.2092 6.3048 6.3048 7.3754 7.3754 10.8329 10.8329 k =-0.3754 0.5301 0.2763 ( 3458 PWs) bands (ev): -2.2071 -2.2071 -2.0139 -2.0139 -1.4734 -1.4734 -1.3298 -1.3298 -1.2794 -1.2794 2.5630 2.5630 3.0412 3.0412 3.0900 3.0900 3.7749 3.7749 4.0209 4.0209 4.0626 4.0626 4.2287 4.2287 4.2698 4.2698 4.4145 4.4145 4.9227 4.9227 5.5175 5.5175 5.6376 5.6376 5.6667 5.6667 5.7236 5.7236 5.7852 5.7852 6.1047 6.1047 6.2100 6.2100 6.3093 6.3093 7.4075 7.4075 10.8576 10.8576 k =-0.3754 0.5301 0.2960 ( 3467 PWs) bands (ev): -2.1968 -2.1968 -2.0145 -2.0145 -1.4740 -1.4740 -1.3286 -1.3286 -1.2876 -1.2876 2.5960 2.5960 3.0943 3.0943 3.1406 3.1406 3.8101 3.8101 4.0343 4.0343 4.0652 4.0652 4.2244 4.2244 4.2730 4.2730 4.4208 4.4208 4.9045 4.9045 5.5098 5.5098 5.6354 5.6354 5.6679 5.6679 5.7173 5.7173 5.7914 5.7914 6.1023 6.1023 6.2116 6.2116 6.3150 6.3150 7.4414 7.4414 10.8830 10.8830 k =-0.3754 0.5301 0.3157 ( 3469 PWs) bands (ev): -2.1865 -2.1865 -2.0153 -2.0153 -1.4739 -1.4739 -1.3273 -1.3273 -1.2960 -1.2960 2.6307 2.6307 3.1492 3.1492 3.1929 3.1929 3.8455 3.8455 4.0469 4.0469 4.0689 4.0689 4.2206 4.2206 4.2781 4.2781 4.4274 4.4274 4.8894 4.8894 5.5023 5.5023 5.6304 5.6304 5.6707 5.6707 5.7114 5.7114 5.7972 5.7972 6.1012 6.1012 6.2140 6.2140 6.3218 6.3218 7.4769 7.4770 10.9090 10.9090 k =-0.3754 0.5301 0.3355 ( 3464 PWs) bands (ev): -2.1764 -2.1764 -2.0161 -2.0161 -1.4732 -1.4732 -1.3261 -1.3261 -1.3045 -1.3045 2.6670 2.6670 3.2052 3.2052 3.2464 3.2464 3.8805 3.8805 4.0558 4.0558 4.0765 4.0765 4.2179 4.2179 4.2857 4.2857 4.4342 4.4342 4.8781 4.8781 5.4952 5.4952 5.6233 5.6233 5.6739 5.6739 5.7066 5.7066 5.8029 5.8029 6.1013 6.1013 6.2172 6.2172 6.3299 6.3299 7.5143 7.5143 10.9350 10.9350 k =-0.3754 0.5301 0.3552 ( 3462 PWs) bands (ev): -2.1666 -2.1666 -2.0170 -2.0170 -1.4718 -1.4718 -1.3253 -1.3253 -1.3127 -1.3127 2.7048 2.7048 3.2615 3.2615 3.3005 3.3005 3.9143 3.9143 4.0596 4.0596 4.0891 4.0891 4.2168 4.2168 4.2964 4.2964 4.4413 4.4413 4.8713 4.8713 5.4886 5.4886 5.6149 5.6149 5.6758 5.6758 5.7040 5.7040 5.8088 5.8088 6.1028 6.1028 6.2212 6.2212 6.3392 6.3392 7.5534 7.5534 10.9608 10.9608 k =-0.3754 0.5301 0.3749 ( 3472 PWs) bands (ev): -2.1572 -2.1572 -2.0180 -2.0180 -1.4696 -1.4696 -1.3270 -1.3270 -1.3186 -1.3186 2.7439 2.7439 3.3171 3.3171 3.3546 3.3546 3.9463 3.9463 4.0608 4.0608 4.1035 4.1035 4.2186 4.2186 4.3111 4.3111 4.4488 4.4488 4.8697 4.8697 5.4824 5.4824 5.6056 5.6056 5.6749 5.6749 5.7050 5.7050 5.8153 5.8153 6.1057 6.1057 6.2259 6.2259 6.3495 6.3495 7.5944 7.5944 10.9858 10.9858 k =-0.3754 0.5301 0.3947 ( 3487 PWs) bands (ev): -2.1484 -2.1484 -2.0191 -2.0191 -1.4665 -1.4665 -1.3339 -1.3339 -1.3194 -1.3194 2.7842 2.7842 3.3707 3.3707 3.4077 3.4077 3.9757 3.9757 4.0607 4.0607 4.1168 4.1168 4.2252 4.2252 4.3303 4.3303 4.4571 4.4571 4.8739 4.8739 5.4767 5.4767 5.5959 5.5959 5.6711 5.6711 5.7097 5.7097 5.8227 5.8227 6.1097 6.1097 6.2315 6.2315 6.3608 6.3608 7.6374 7.6374 11.0094 11.0094 k =-0.3754 0.5301 0.4144 ( 3499 PWs) bands (ev): -2.1403 -2.1403 -2.0203 -2.0203 -1.4625 -1.4625 -1.3426 -1.3426 -1.3184 -1.3184 2.8256 2.8256 3.4212 3.4212 3.4591 3.4591 4.0019 4.0019 4.0600 4.0600 4.1270 4.1270 4.2388 4.2388 4.3549 4.3549 4.4668 4.4668 4.8843 4.8843 5.4717 5.4717 5.5863 5.5863 5.6655 5.6655 5.7167 5.7167 5.8314 5.8314 6.1148 6.1148 6.2380 6.2380 6.3731 6.3731 7.6824 7.6824 11.0308 11.0308 k =-0.3754 0.5301 0.4341 ( 3497 PWs) bands (ev): -2.1329 -2.1329 -2.0216 -2.0216 -1.4575 -1.4575 -1.3516 -1.3516 -1.3170 -1.3170 2.8678 2.8678 3.4675 3.4675 3.5074 3.5074 4.0244 4.0244 4.0588 4.0588 4.1331 4.1331 4.2610 4.2610 4.3850 4.3850 4.4789 4.4789 4.9011 4.9011 5.4672 5.4672 5.5771 5.5771 5.6592 5.6592 5.7255 5.7255 5.8416 5.8416 6.1208 6.1208 6.2454 6.2454 6.3862 6.3862 7.7296 7.7296 11.0490 11.0490 k =-0.3754 0.5301 0.4539 ( 3499 PWs) bands (ev): -2.1262 -2.1262 -2.0229 -2.0229 -1.4515 -1.4515 -1.3607 -1.3607 -1.3154 -1.3154 2.9106 2.9106 3.5087 3.5087 3.5513 3.5513 4.0418 4.0418 4.0579 4.0579 4.1357 4.1357 4.2918 4.2918 4.4200 4.4200 4.4953 4.4953 4.9241 4.9241 5.4634 5.4634 5.5687 5.5687 5.6527 5.6527 5.7356 5.7356 5.8534 5.8534 6.1276 6.1276 6.2539 6.2539 6.4000 6.4000 7.7791 7.7791 11.0626 11.0626 k =-0.3754 0.5301 0.4736 ( 3491 PWs) bands (ev): -2.1205 -2.1205 -2.0243 -2.0243 -1.4445 -1.4445 -1.3697 -1.3697 -1.3138 -1.3138 2.9538 2.9538 3.5443 3.5443 3.5898 3.5898 4.0484 4.0484 4.0627 4.0627 4.1366 4.1366 4.3305 4.3305 4.4567 4.4567 4.5200 4.5200 4.9531 4.9531 5.4603 5.4603 5.5615 5.5615 5.6462 5.6462 5.7472 5.7472 5.8672 5.8672 6.1351 6.1351 6.2635 6.2635 6.4146 6.4146 7.8312 7.8312 11.0700 11.0700 k =-0.3754 0.5301 0.4933 ( 3491 PWs) bands (ev): -2.1156 -2.1156 -2.0258 -2.0258 -1.4365 -1.4365 -1.3786 -1.3786 -1.3122 -1.3122 2.9972 2.9972 3.5740 3.5740 3.6220 3.6220 4.0457 4.0457 4.0709 4.0709 4.1373 4.1373 4.3763 4.3763 4.4895 4.4895 4.5592 4.5592 4.9875 4.9875 5.4579 5.4579 5.5561 5.5561 5.6403 5.6403 5.7603 5.7603 5.8829 5.8829 6.1431 6.1431 6.2745 6.2745 6.4299 6.4299 7.8861 7.8861 11.0689 11.0689 k =-0.3754 0.5301 0.5130 ( 3487 PWs) bands (ev): -2.1116 -2.1116 -2.0274 -2.0274 -1.4276 -1.4276 -1.3874 -1.3874 -1.3106 -1.3106 3.0404 3.0404 3.5979 3.5979 3.6479 3.6479 4.0404 4.0404 4.0752 4.0752 4.1389 4.1389 4.4279 4.4279 4.5178 4.5178 4.6134 4.6134 5.0264 5.0264 5.4564 5.4564 5.5526 5.5526 5.6353 5.6353 5.7749 5.7749 5.9008 5.9008 6.1515 6.1515 6.2867 6.2867 6.4458 6.4458 7.9439 7.9439 11.0565 11.0565 k =-0.3754 0.5301 0.5328 ( 3488 PWs) bands (ev): -2.1086 -2.1086 -2.0291 -2.0291 -1.4180 -1.4180 -1.3959 -1.3959 -1.3089 -1.3089 3.0832 3.0832 3.6162 3.6162 3.6677 3.6677 4.0336 4.0336 4.0747 4.0747 4.1421 4.1421 4.4821 4.4821 4.5477 4.5477 4.6781 4.6781 5.0691 5.0691 5.4559 5.4559 5.5517 5.5517 5.6317 5.6317 5.7912 5.7912 5.9211 5.9211 6.1603 6.1603 6.3005 6.3005 6.4626 6.4626 8.0049 8.0049 11.0294 11.0294 k =-0.3754 0.5301 0.5525 ( 3499 PWs) bands (ev): -2.1064 -2.1064 -2.0309 -2.0309 -1.4090 -1.4090 -1.4028 -1.4028 -1.3073 -1.3073 3.1253 3.1253 3.6295 3.6295 3.6823 3.6823 4.0256 4.0256 4.0704 4.0704 4.1465 4.1465 4.5308 4.5308 4.5879 4.5879 4.7494 4.7494 5.1145 5.1145 5.4564 5.4564 5.5534 5.5534 5.6303 5.6303 5.8093 5.8093 5.9439 5.9439 6.1695 6.1695 6.3160 6.3160 6.4803 6.4803 8.0693 8.0693 10.9839 10.9839 k =-0.3754 0.5301 0.5722 ( 3499 PWs) bands (ev): -2.1050 -2.1050 -2.0327 -2.0327 -1.4134 -1.4134 -1.3955 -1.3955 -1.3057 -1.3057 3.1663 3.1663 3.6384 3.6384 3.6925 3.6925 4.0164 4.0164 4.0633 4.0633 4.1514 4.1514 4.5676 4.5676 4.6439 4.6439 4.8249 4.8249 5.1619 5.1619 5.4581 5.4581 5.5577 5.5577 5.6324 5.6324 5.8293 5.8293 5.9697 5.9697 6.1791 6.1791 6.3332 6.3332 6.4990 6.4990 8.1374 8.1374 10.9166 10.9166 k =-0.3754 0.5301 0.5920 ( 3499 PWs) bands (ev): -2.1043 -2.1043 -2.0346 -2.0346 -1.4211 -1.4211 -1.3840 -1.3840 -1.3041 -1.3041 3.2060 3.2060 3.6434 3.6434 3.6994 3.6994 4.0062 4.0062 4.0544 4.0544 4.1564 4.1564 4.5982 4.5982 4.7078 4.7078 4.9023 4.9023 5.2108 5.2108 5.4613 5.4613 5.5640 5.5640 5.6395 5.6395 5.8514 5.8514 5.9990 5.9990 6.1891 6.1891 6.3525 6.3525 6.5190 6.5190 8.2095 8.2095 10.8255 10.8255 k =-0.3754 0.5301 0.6117 ( 3505 PWs) bands (ev): -2.1044 -2.1044 -2.0365 -2.0365 -1.4286 -1.4286 -1.3719 -1.3719 -1.3025 -1.3025 3.2439 3.2439 3.6452 3.6452 3.7036 3.7036 3.9954 3.9954 4.0445 4.0445 4.1611 4.1611 4.6275 4.6275 4.7725 4.7725 4.9791 4.9791 5.2609 5.2609 5.4660 5.4660 5.5713 5.5713 5.6535 5.6535 5.8757 5.8757 6.0324 6.0324 6.1998 6.1998 6.3742 6.3742 6.5407 6.5407 8.2857 8.2857 10.7114 10.7114 k =-0.3754 0.5301 0.6314 ( 3503 PWs) bands (ev): -2.1049 -2.1049 -2.0384 -2.0384 -1.4359 -1.4359 -1.3595 -1.3595 -1.3010 -1.3010 3.2798 3.2798 3.6445 3.6445 3.7058 3.7058 3.9840 3.9840 4.0340 4.0340 4.1655 4.1655 4.6568 4.6568 4.8338 4.8338 5.0528 5.0528 5.3124 5.3124 5.4726 5.4726 5.5792 5.5792 5.6754 5.6754 5.9023 5.9023 6.0704 6.0704 6.2114 6.2114 6.3986 6.3986 6.5646 6.5646 8.3661 8.3661 10.5774 10.5774 k =-0.3754 0.5301 0.6512 ( 3494 PWs) bands (ev): -2.1060 -2.1060 -2.0404 -2.0404 -1.4428 -1.4428 -1.3469 -1.3469 -1.2995 -1.2995 3.3135 3.3135 3.6417 3.6417 3.7064 3.7064 3.9723 3.9723 4.0233 4.0233 4.1695 4.1695 4.6867 4.6867 4.8891 4.8891 5.1206 5.1206 5.3654 5.3654 5.4813 5.4813 5.5884 5.5884 5.7046 5.7046 5.9317 5.9317 6.1135 6.1135 6.2245 6.2245 6.4266 6.4266 6.5916 6.5916 8.4509 8.4509 10.4282 10.4282 k =-0.3754 0.5301 0.6709 ( 3496 PWs) bands (ev): -2.1075 -2.1075 -2.0423 -2.0423 -1.4494 -1.4494 -1.3344 -1.3344 -1.2980 -1.2980 3.3446 3.3446 3.6375 3.6375 3.7060 3.7060 3.9605 3.9605 4.0125 4.0125 4.1730 4.1730 4.7171 4.7171 4.9365 4.9365 5.1804 5.1804 5.4194 5.4194 5.4922 5.4922 5.6007 5.6007 5.7390 5.7390 5.9639 5.9639 6.1608 6.1608 6.2405 6.2405 6.4589 6.4589 6.6225 6.6225 8.5399 8.5399 10.2688 10.2688 k =-0.3754 0.5301 0.6906 ( 3500 PWs) bands (ev): -2.1094 -2.1094 -2.0443 -2.0443 -1.4557 -1.4557 -1.3219 -1.3219 -1.2966 -1.2966 3.3730 3.3730 3.6322 3.6322 3.7049 3.7049 3.9487 3.9487 4.0018 4.0018 4.1761 4.1761 4.7478 4.7478 4.9755 4.9755 5.2303 5.2303 5.4714 5.4714 5.5063 5.5063 5.6184 5.6184 5.7762 5.7762 5.9988 5.9988 6.2080 6.2080 6.2644 6.2644 6.4973 6.4973 6.6587 6.6587 8.6325 8.6325 10.1038 10.1038 k =-0.3754 0.5301 0.7104 ( 3495 PWs) bands (ev): -2.1115 -2.1115 -2.0462 -2.0462 -1.4615 -1.4615 -1.3098 -1.3098 -1.2951 -1.2951 3.3985 3.3985 3.6262 3.6262 3.7033 3.7033 3.9373 3.9373 3.9914 3.9914 4.1788 4.1788 4.7785 4.7785 5.0063 5.0063 5.2702 5.2702 5.5059 5.5059 5.5358 5.5358 5.6432 5.6432 5.8139 5.8139 6.0355 6.0355 6.2437 6.2437 6.3065 6.3065 6.5440 6.5440 6.7021 6.7021 8.7278 8.7278 9.9375 9.9375 k =-0.3754 0.5301 0.7301 ( 3491 PWs) bands (ev): -2.1138 -2.1138 -2.0481 -2.0481 -1.4670 -1.4670 -1.2988 -1.2988 -1.2930 -1.2930 3.4210 3.4210 3.6198 3.6198 3.7015 3.7015 3.9262 3.9262 3.9813 3.9813 4.1811 4.1811 4.8087 4.8087 5.0301 5.0301 5.3006 5.3006 5.5198 5.5198 5.5814 5.5814 5.6747 5.6747 5.8507 5.8507 6.0724 6.0724 6.2688 6.2688 6.3641 6.3641 6.6021 6.6021 6.7546 6.7546 8.8232 8.8232 9.7748 9.7748 k =-0.3754 0.5301 0.7498 ( 3489 PWs) bands (ev): -2.1162 -2.1162 -2.0500 -2.0500 -1.4720 -1.4720 -1.2939 -1.2939 -1.2852 -1.2852 3.4405 3.4405 3.6132 3.6132 3.6998 3.6998 3.9157 3.9157 3.9716 3.9716 4.1829 4.1829 4.8381 4.8381 5.0482 5.0482 5.3232 5.3232 5.5295 5.5295 5.6260 5.6260 5.7101 5.7101 5.8858 5.8858 6.1073 6.1073 6.2919 6.2919 6.4257 6.4257 6.6747 6.6747 6.8183 6.8183 8.9122 8.9122 9.6238 9.6238 k =-0.3754 0.5301 0.7696 ( 3487 PWs) bands (ev): -2.1186 -2.1186 -2.0517 -2.0517 -1.4767 -1.4767 -1.2924 -1.2924 -1.2747 -1.2747 3.4571 3.4571 3.6066 3.6066 3.6984 3.6984 3.9059 3.9059 3.9625 3.9625 4.1845 4.1845 4.8662 4.8662 5.0618 5.0618 5.3399 5.3399 5.5374 5.5374 5.6678 5.6678 5.7458 5.7458 5.9191 5.9191 6.1382 6.1382 6.3156 6.3156 6.4867 6.4867 6.7633 6.7633 6.8944 6.8944 8.9771 8.9771 9.5033 9.5033 k =-0.3754 0.5301 0.7893 ( 3493 PWs) bands (ev): -2.1211 -2.1211 -2.0534 -2.0534 -1.4810 -1.4810 -1.2912 -1.2912 -1.2645 -1.2645 3.4709 3.4709 3.6002 3.6002 3.6972 3.6972 3.8968 3.8968 3.9538 3.9538 4.1857 4.1857 4.8927 4.8927 5.0720 5.0720 5.3524 5.3524 5.5443 5.5443 5.7062 5.7062 5.7789 5.7789 5.9508 5.9508 6.1644 6.1644 6.3397 6.3397 6.5470 6.5470 6.8666 6.8666 6.9835 6.9835 8.9795 8.9795 9.4520 9.4520 k =-0.3754 0.5301 0.8090 ( 3493 PWs) bands (ev): -2.1234 -2.1234 -2.0550 -2.0550 -1.4849 -1.4849 -1.2903 -1.2903 -1.2550 -1.2550 3.4820 3.4820 3.5942 3.5942 3.6964 3.6964 3.8885 3.8885 3.9458 3.9458 4.1866 4.1866 4.9171 4.9171 5.0797 5.0797 5.3619 5.3619 5.5506 5.5506 5.7411 5.7411 5.8083 5.8083 5.9807 5.9807 6.1860 6.1860 6.3631 6.3631 6.6086 6.6086 6.9822 6.9822 7.0849 7.0849 8.9000 8.9000 9.4880 9.4880 k =-0.3754 0.5301 0.8288 ( 3491 PWs) bands (ev): -2.1257 -2.1257 -2.0564 -2.0564 -1.4883 -1.4883 -1.2894 -1.2894 -1.2463 -1.2463 3.4908 3.4908 3.5885 3.5885 3.6959 3.6959 3.8811 3.8811 3.9385 3.9385 4.1874 4.1874 4.9392 4.9392 5.0857 5.0857 5.3691 5.3691 5.5564 5.5564 5.7721 5.7721 5.8337 5.8337 6.0084 6.0084 6.2038 6.2038 6.3848 6.3848 6.6736 6.6736 7.1068 7.1068 7.1969 7.1969 8.7757 8.7757 9.5676 9.5676 k =-0.3754 0.5301 0.8485 ( 3493 PWs) bands (ev): -2.1278 -2.1278 -2.0578 -2.0578 -1.4913 -1.4913 -1.2886 -1.2886 -1.2384 -1.2384 3.4976 3.4976 3.5834 3.5834 3.6958 3.6958 3.8746 3.8746 3.9318 3.9318 4.1879 4.1879 4.9587 4.9587 5.0902 5.0902 5.3747 5.3747 5.5617 5.5617 5.7989 5.7989 5.8552 5.8552 6.0335 6.0335 6.2188 6.2188 6.4039 6.4039 6.7440 6.7440 7.2373 7.2373 7.3173 7.3173 8.6380 8.6380 9.6214 9.6214 k =-0.3754 0.5301 0.8682 ( 3499 PWs) bands (ev): -2.1297 -2.1297 -2.0590 -2.0590 -1.4940 -1.4940 -1.2880 -1.2880 -1.2315 -1.2315 3.5026 3.5026 3.5788 3.5788 3.6959 3.6959 3.8690 3.8690 3.9259 3.9259 4.1882 4.1882 4.9756 4.9756 5.0937 5.0937 5.3791 5.3791 5.5666 5.5666 5.8215 5.8215 5.8733 5.8733 6.0556 6.0556 6.2313 6.2313 6.4203 6.4203 6.8205 6.8205 7.3701 7.3701 7.4434 7.4434 8.5015 8.5015 9.5488 9.5488 k =-0.3754 0.5301 0.8880 ( 3501 PWs) bands (ev): -2.1313 -2.1313 -2.0600 -2.0600 -1.4962 -1.4962 -1.2874 -1.2874 -1.2255 -1.2255 3.5063 3.5063 3.5749 3.5749 3.6962 3.6962 3.8643 3.8643 3.9209 3.9209 4.1885 4.1885 4.9897 4.9897 5.0965 5.0965 5.3826 5.3826 5.5709 5.5709 5.8400 5.8400 5.8884 5.8884 6.0742 6.0742 6.2418 6.2418 6.4338 6.4338 6.9035 6.9035 7.4985 7.4985 7.5724 7.5724 8.3766 8.3766 9.4015 9.4015 k =-0.3754 0.5301 0.9077 ( 3500 PWs) bands (ev): -2.1327 -2.1327 -2.0608 -2.0608 -1.4981 -1.4981 -1.2870 -1.2870 -1.2206 -1.2206 3.5088 3.5088 3.5716 3.5716 3.6965 3.6965 3.8605 3.8605 3.9167 3.9167 4.1886 4.1886 5.0012 5.0012 5.0987 5.0987 5.3852 5.3852 5.5746 5.5746 5.8545 5.8545 5.9006 5.9006 6.0893 6.0893 6.2504 6.2504 6.4446 6.4446 6.9921 6.9921 7.6076 7.6076 7.7023 7.7023 8.2776 8.2776 9.2406 9.2406 k =-0.3754 0.5301 0.9274 ( 3504 PWs) bands (ev): -2.1338 -2.1338 -2.0615 -2.0615 -1.4995 -1.4995 -1.2866 -1.2866 -1.2167 -1.2167 3.5105 3.5105 3.5691 3.5691 3.6968 3.6968 3.8576 3.8576 3.9133 3.9133 4.1887 4.1887 5.0099 5.0099 5.1004 5.1004 5.3871 5.3871 5.5776 5.5776 5.8654 5.8654 5.9101 5.9101 6.1008 6.1008 6.2572 6.2572 6.4528 6.4528 7.0844 7.0844 7.6700 7.6700 7.8306 7.8306 8.2295 8.2295 9.0814 9.0814 k =-0.3754 0.5301 0.9472 ( 3508 PWs) bands (ev): -2.1346 -2.1346 -2.0620 -2.0620 -1.5005 -1.5005 -1.2864 -1.2864 -1.2140 -1.2140 3.5115 3.5115 3.5673 3.5673 3.6971 3.6971 3.8556 3.8556 3.9109 3.9109 4.1887 4.1887 5.0161 5.0161 5.1016 5.1016 5.3884 5.3884 5.5798 5.5798 5.8730 5.8730 5.9169 5.9169 6.1090 6.1090 6.2620 6.2620 6.4586 6.4586 7.1757 7.1757 7.6657 7.6657 7.9489 7.9489 8.2508 8.2508 8.9335 8.9335 k =-0.3754 0.5301 0.9669 ( 3512 PWs) bands (ev): -2.1351 -2.1351 -2.0623 -2.0623 -1.5011 -1.5011 -1.2862 -1.2862 -1.2123 -1.2123 3.5121 3.5121 3.5662 3.5662 3.6973 3.6973 3.8543 3.8543 3.9095 3.9095 4.1887 4.1887 5.0198 5.0198 5.1023 5.1023 5.3892 5.3892 5.5811 5.5811 5.8774 5.8774 5.9209 5.9209 6.1138 6.1138 6.2649 6.2649 6.4621 6.4621 7.2543 7.2543 7.6212 7.6212 8.0389 8.0389 8.3126 8.3126 8.8132 8.8132 k =-0.3754 0.5301 0.9866 ( 3512 PWs) bands (ev): -2.1353 -2.1353 -2.0624 -2.0624 -1.5013 -1.5013 -1.2862 -1.2862 -1.2117 -1.2117 3.5123 3.5123 3.5658 3.5658 3.6973 3.6973 3.8539 3.8539 3.9090 3.9090 4.1887 4.1887 5.0210 5.0210 5.1025 5.1025 5.3895 5.3895 5.5816 5.5816 5.8789 5.8789 5.9223 5.9223 6.1154 6.1154 6.2659 6.2659 6.4632 6.4632 7.2898 7.2898 7.5938 7.5938 8.0741 8.0741 8.3487 8.3487 8.7607 8.7607 k =-0.3754 0.5301 0.9866 ( 3512 PWs) bands (ev): -2.1353 -2.1353 -2.0624 -2.0624 -1.5013 -1.5013 -1.2862 -1.2862 -1.2117 -1.2117 3.5123 3.5123 3.5658 3.5658 3.6973 3.6973 3.8539 3.8539 3.9090 3.9090 4.1887 4.1887 5.0210 5.0210 5.1025 5.1025 5.3895 5.3895 5.5816 5.5816 5.8789 5.8789 5.9223 5.9223 6.1154 6.1154 6.2659 6.2659 6.4632 6.4632 7.2898 7.2898 7.5938 7.5938 8.0741 8.0741 8.3487 8.3487 8.7607 8.7607 k =-0.3867 0.5141 0.9866 ( 3516 PWs) bands (ev): -2.1358 -2.1358 -2.0628 -2.0628 -1.5019 -1.5019 -1.2867 -1.2867 -1.2122 -1.2122 3.5004 3.5004 3.5528 3.5528 3.6871 3.6871 3.8513 3.8513 3.9061 3.9061 4.1898 4.1898 5.0326 5.0326 5.1071 5.1071 5.4012 5.4012 5.5900 5.5900 5.8983 5.8983 5.9574 5.9574 6.1304 6.1304 6.2923 6.2923 6.4895 6.4895 7.2266 7.2266 7.6632 7.6632 8.0048 8.0048 8.3781 8.3781 8.7523 8.7523 k =-0.3980 0.4981 0.9866 ( 3512 PWs) bands (ev): -2.1362 -2.1362 -2.0632 -2.0632 -1.5024 -1.5024 -1.2871 -1.2871 -1.2127 -1.2127 3.4894 3.4894 3.5408 3.5408 3.6775 3.6775 3.8493 3.8493 3.9036 3.9036 4.1901 4.1901 5.0428 5.0428 5.1120 5.1120 5.4118 5.4118 5.5989 5.5989 5.9159 5.9159 5.9915 5.9915 6.1446 6.1446 6.3170 6.3170 6.5158 6.5158 7.1645 7.1645 7.7351 7.7351 7.9398 7.9398 8.4123 8.4123 8.7431 8.7431 k =-0.4094 0.4821 0.9866 ( 3512 PWs) bands (ev): -2.1366 -2.1366 -2.0636 -2.0636 -1.5029 -1.5029 -1.2875 -1.2875 -1.2131 -1.2131 3.4794 3.4794 3.5297 3.5297 3.6686 3.6686 3.8476 3.8476 3.9014 3.9014 4.1898 4.1898 5.0516 5.0516 5.1173 5.1173 5.4212 5.4212 5.6080 5.6080 5.9324 5.9324 6.0236 6.0236 6.1582 6.1582 6.3395 6.3395 6.5418 6.5418 7.1043 7.1043 7.8075 7.8075 7.8811 7.8811 8.4503 8.4503 8.7330 8.7330 k =-0.4207 0.4661 0.9866 ( 3516 PWs) bands (ev): -2.1370 -2.1370 -2.0639 -2.0639 -1.5034 -1.5034 -1.2880 -1.2880 -1.2135 -1.2135 3.4704 3.4704 3.5198 3.5198 3.6605 3.6605 3.8464 3.8464 3.8996 3.8996 4.1892 4.1892 5.0592 5.0592 5.1227 5.1227 5.4296 5.4296 5.6169 5.6169 5.9478 5.9478 6.0532 6.0532 6.1713 6.1713 6.3595 6.3595 6.5672 6.5672 7.0469 7.0469 7.8188 7.8188 7.8898 7.8898 8.4910 8.4910 8.7215 8.7215 k =-0.4320 0.4501 0.9866 ( 3512 PWs) bands (ev): -2.1373 -2.1373 -2.0642 -2.0642 -1.5038 -1.5038 -1.2883 -1.2883 -1.2138 -1.2138 3.4626 3.4626 3.5110 3.5110 3.6534 3.6534 3.8454 3.8454 3.8981 3.8981 4.1882 4.1882 5.0655 5.0655 5.1279 5.1279 5.4368 5.4368 5.6253 5.6253 5.9619 5.9619 6.0798 6.0798 6.1840 6.1840 6.3770 6.3770 6.5914 6.5914 6.9931 6.9931 7.7711 7.7711 7.9631 7.9631 8.5331 8.5331 8.7082 8.7082 k =-0.4433 0.4341 0.9866 ( 3516 PWs) bands (ev): -2.1376 -2.1376 -2.0644 -2.0644 -1.5041 -1.5041 -1.2886 -1.2886 -1.2141 -1.2141 3.4558 3.4558 3.5034 3.5034 3.6473 3.6473 3.8447 3.8447 3.8969 3.8969 4.1872 4.1872 5.0707 5.0707 5.1328 5.1328 5.4429 5.4429 5.6330 5.6330 5.9745 5.9745 6.1030 6.1030 6.1964 6.1964 6.3918 6.3918 6.6136 6.6136 6.9439 6.9439 7.7280 7.7280 8.0365 8.0365 8.5748 8.5748 8.6930 8.6930 k =-0.4547 0.4181 0.9866 ( 3512 PWs) bands (ev): -2.1378 -2.1378 -2.0646 -2.0646 -1.5044 -1.5044 -1.2889 -1.2889 -1.2144 -1.2144 3.4503 3.4503 3.4972 3.4972 3.6422 3.6422 3.8442 3.8442 3.8959 3.8959 4.1862 4.1862 5.0748 5.0748 5.1372 5.1372 5.4480 5.4480 5.6397 5.6397 5.9852 5.9852 6.1223 6.1223 6.2084 6.2084 6.4040 6.4040 6.6334 6.6334 6.9002 6.9002 7.6915 7.6915 8.1065 8.1065 8.6134 8.6134 8.6765 8.6765 k =-0.4660 0.4021 0.9866 ( 3508 PWs) bands (ev): -2.1380 -2.1380 -2.0648 -2.0648 -1.5046 -1.5046 -1.2891 -1.2891 -1.2146 -1.2146 3.4460 3.4460 3.4922 3.4922 3.6382 3.6382 3.8438 3.8438 3.8952 3.8952 4.1853 4.1853 5.0779 5.0779 5.1408 5.1408 5.4519 5.4519 5.6451 5.6451 5.9939 5.9939 6.1372 6.1372 6.2194 6.2194 6.4136 6.4136 6.6501 6.6501 6.8633 6.8633 7.6624 7.6624 8.1699 8.1699 8.6393 8.6393 8.6666 8.6667 k =-0.4773 0.3861 0.9866 ( 3496 PWs) bands (ev): -2.1381 -2.1381 -2.0648 -2.0648 -1.5047 -1.5047 -1.2892 -1.2892 -1.2147 -1.2147 3.4428 3.4428 3.4887 3.4887 3.6354 3.6354 3.8435 3.8435 3.8947 3.8947 4.1845 4.1845 5.0801 5.0801 5.1434 5.1434 5.4547 5.4547 5.6491 5.6491 6.0003 6.0003 6.1477 6.1477 6.2287 6.2287 6.4206 6.4206 6.6630 6.6630 6.8348 6.8348 7.6412 7.6412 8.2227 8.2227 8.6307 8.6307 8.6843 8.6843 k =-0.4887 0.3701 0.9866 ( 3500 PWs) bands (ev): -2.1382 -2.1382 -2.0649 -2.0649 -1.5048 -1.5048 -1.2893 -1.2893 -1.2148 -1.2148 3.4410 3.4410 3.4865 3.4865 3.6336 3.6336 3.8434 3.8434 3.8944 3.8944 4.1841 4.1841 5.0814 5.0814 5.1451 5.1451 5.4564 5.4564 5.6515 5.6515 6.0042 6.0042 6.1539 6.1539 6.2349 6.2349 6.4249 6.4249 6.6715 6.6715 6.8164 6.8164 7.6283 7.6283 8.2589 8.2589 8.6169 8.6169 8.7013 8.7013 k =-0.5000 0.3541 0.9866 ( 3496 PWs) bands (ev): -2.1382 -2.1382 -2.0649 -2.0649 -1.5048 -1.5048 -1.2893 -1.2893 -1.2148 -1.2148 3.4403 3.4403 3.4858 3.4858 3.6330 3.6330 3.8433 3.8433 3.8943 3.8943 4.1839 4.1839 5.0818 5.0818 5.1456 5.1456 5.4570 5.4570 5.6523 5.6523 6.0055 6.0055 6.1559 6.1559 6.2371 6.2371 6.4264 6.4264 6.6745 6.6745 6.8100 6.8100 7.6239 7.6239 8.2720 8.2720 8.6111 8.6111 8.7074 8.7074 k =-0.5000 0.3541 0.9866 ( 3496 PWs) bands (ev): -2.1382 -2.1382 -2.0649 -2.0649 -1.5048 -1.5048 -1.2893 -1.2893 -1.2148 -1.2148 3.4403 3.4403 3.4858 3.4858 3.6330 3.6330 3.8433 3.8433 3.8943 3.8943 4.1839 4.1839 5.0818 5.0818 5.1456 5.1456 5.4570 5.4570 5.6523 5.6523 6.0055 6.0055 6.1559 6.1559 6.2371 6.2371 6.4264 6.4264 6.6745 6.6745 6.8100 6.8100 7.6239 7.6239 8.2720 8.2720 8.6111 8.6111 8.7074 8.7074 k =-0.5000 0.3541 0.9669 ( 3500 PWs) bands (ev): -2.1381 -2.1381 -2.0648 -2.0648 -1.5047 -1.5047 -1.2894 -1.2894 -1.2153 -1.2153 3.4400 3.4400 3.4862 3.4862 3.6334 3.6334 3.8437 3.8437 3.8947 3.8947 4.1839 4.1839 5.0808 5.0808 5.1454 5.1454 5.4570 5.4570 5.6521 5.6521 6.0045 6.0045 6.1536 6.1536 6.2357 6.2357 6.4249 6.4249 6.6727 6.6727 6.8009 6.8009 7.6009 7.6009 8.2878 8.2878 8.5930 8.5930 8.6852 8.6852 k =-0.5000 0.3541 0.9472 ( 3508 PWs) bands (ev): -2.1376 -2.1376 -2.0646 -2.0646 -1.5041 -1.5041 -1.2896 -1.2896 -1.2170 -1.2170 3.4390 3.4390 3.4874 3.4874 3.6345 3.6345 3.8447 3.8447 3.8961 3.8961 4.1836 4.1836 5.0776 5.0776 5.1445 5.1445 5.4570 5.4570 5.6512 5.6512 6.0014 6.0014 6.1464 6.1464 6.2313 6.2313 6.4204 6.4204 6.6670 6.6670 6.7751 6.7751 7.5370 7.5370 8.3321 8.3321 8.5416 8.5416 8.6248 8.6248 k =-0.5000 0.3541 0.9274 ( 3510 PWs) bands (ev): -2.1368 -2.1368 -2.0641 -2.0641 -1.5030 -1.5030 -1.2898 -1.2898 -1.2198 -1.2198 3.4372 3.4372 3.4894 3.4894 3.6364 3.6364 3.8464 3.8464 3.8984 3.8984 4.1832 4.1832 5.0722 5.0722 5.1432 5.1432 5.4571 5.4571 5.6498 5.6498 5.9961 5.9961 6.1336 6.1336 6.2244 6.2244 6.4127 6.4127 6.6573 6.6573 6.7370 6.7370 7.4443 7.4443 8.3903 8.3903 8.4643 8.4643 8.5482 8.5482 k =-0.5000 0.3541 0.9077 ( 3510 PWs) bands (ev): -2.1357 -2.1357 -2.0634 -2.0634 -1.5016 -1.5016 -1.2901 -1.2901 -1.2236 -1.2236 3.4345 3.4345 3.4921 3.4921 3.6391 3.6391 3.8487 3.8487 3.9015 3.9015 4.1825 4.1825 5.0645 5.0645 5.1413 5.1413 5.4573 5.4573 5.6479 5.6479 5.9885 5.9885 6.1141 6.1141 6.2150 6.2150 6.4020 6.4020 6.6427 6.6427 6.6925 6.6925 7.3341 7.3341 8.3690 8.3690 8.3746 8.3746 8.5499 8.5499 k =-0.5000 0.3541 0.8880 ( 3506 PWs) bands (ev): -2.1342 -2.1342 -2.0625 -2.0625 -1.4998 -1.4998 -1.2906 -1.2906 -1.2285 -1.2285 3.4308 3.4308 3.4955 3.4955 3.6426 3.6426 3.8518 3.8518 3.9056 3.9056 4.1817 4.1817 5.0543 5.0543 5.1389 5.1389 5.4575 5.4575 5.6454 5.6454 5.9784 5.9784 6.0868 6.0868 6.2036 6.2036 6.3879 6.3879 6.6203 6.6203 6.6488 6.6488 7.2155 7.2155 8.2630 8.2630 8.2674 8.2674 8.6510 8.6510 k =-0.5000 0.3541 0.8682 ( 3506 PWs) bands (ev): -2.1326 -2.1326 -2.0615 -2.0615 -1.4975 -1.4975 -1.2911 -1.2911 -1.2344 -1.2344 3.4259 3.4259 3.4996 3.4996 3.6472 3.6472 3.8554 3.8554 3.9105 3.9105 4.1806 4.1806 5.0417 5.0417 5.1358 5.1358 5.4577 5.4577 5.6425 5.6425 5.9653 5.9653 6.0509 6.0509 6.1901 6.1901 6.3707 6.3707 6.5852 6.5852 6.6144 6.6144 7.0948 7.0948 8.1427 8.1427 8.1516 8.1516 8.7793 8.7793 k =-0.5000 0.3541 0.8485 ( 3504 PWs) bands (ev): -2.1306 -2.1306 -2.0602 -2.0602 -1.4948 -1.4948 -1.2917 -1.2917 -1.2412 -1.2412 3.4195 3.4195 3.5044 3.5044 3.6527 3.6527 3.8597 3.8597 3.9163 3.9163 4.1792 4.1792 5.0265 5.0265 5.1318 5.1318 5.4580 5.4580 5.6392 5.6392 5.9489 5.9489 6.0061 6.0061 6.1744 6.1744 6.3504 6.3504 6.5442 6.5442 6.5836 6.5836 6.9773 6.9773 8.0142 8.0142 8.0387 8.0387 8.9224 8.9224 k =-0.5000 0.3541 0.8288 ( 3504 PWs) bands (ev): -2.1285 -2.1285 -2.0589 -2.0589 -1.4917 -1.4917 -1.2924 -1.2924 -1.2490 -1.2490 3.4116 3.4116 3.5097 3.5097 3.6593 3.6593 3.8646 3.8646 3.9229 3.9229 4.1776 4.1776 5.0089 5.0089 5.1267 5.1267 5.4585 5.4585 5.6354 5.6354 5.9284 5.9284 5.9535 5.9535 6.1558 6.1558 6.3276 6.3276 6.5030 6.5030 6.5498 6.5498 6.8680 6.8680 7.8857 7.8857 7.9273 7.9273 9.0765 9.0765 k =-0.5000 0.3541 0.8090 ( 3514 PWs) bands (ev): -2.1262 -2.1262 -2.0574 -2.0574 -1.4882 -1.4882 -1.2933 -1.2933 -1.2577 -1.2577 3.4018 3.4018 3.5155 3.5155 3.6671 3.6671 3.8701 3.8701 3.9303 3.9303 4.1755 4.1755 4.9887 4.9887 5.1198 5.1198 5.4589 5.4589 5.6313 5.6313 5.8923 5.8923 5.9052 5.9052 6.1332 6.1332 6.3029 6.3029 6.4581 6.4581 6.5146 6.5146 6.7716 6.7716 7.7596 7.7596 7.8199 7.8199 9.2395 9.2395 k =-0.5000 0.3541 0.7893 ( 3514 PWs) bands (ev): -2.1238 -2.1238 -2.0557 -2.0557 -1.4843 -1.4843 -1.2942 -1.2942 -1.2671 -1.2671 3.3900 3.3900 3.5216 3.5216 3.6759 3.6759 3.8761 3.8761 3.9384 3.9384 4.1731 4.1731 4.9663 4.9663 5.1105 5.1105 5.4595 5.4595 5.6266 5.6266 5.8289 5.8289 5.8741 5.8741 6.1051 6.1051 6.2773 6.2773 6.4038 6.4038 6.4828 6.4828 6.6909 6.6909 7.6375 7.6375 7.7182 7.7182 9.4101 9.4101 k =-0.5000 0.3541 0.7696 ( 3514 PWs) bands (ev): -2.1213 -2.1213 -2.0540 -2.0540 -1.4800 -1.4800 -1.2953 -1.2953 -1.2771 -1.2771 3.3762 3.3762 3.5280 3.5280 3.6859 3.6859 3.8826 3.8826 3.9473 3.9473 4.1703 4.1703 4.9416 4.9416 5.0981 5.0981 5.4601 5.4601 5.6214 5.6214 5.7619 5.7619 5.8372 5.8372 6.0697 6.0697 6.2518 6.2518 6.3413 6.3413 6.4563 6.4563 6.6250 6.6250 7.5204 7.5204 7.6234 7.6234 9.5872 9.5872 k =-0.5000 0.3541 0.7498 ( 3518 PWs) bands (ev): -2.1188 -2.1188 -2.0522 -2.0522 -1.4753 -1.4753 -1.2970 -1.2970 -1.2874 -1.2874 3.3601 3.3601 3.5344 3.5344 3.6970 3.6970 3.8895 3.8895 3.9568 3.9568 4.1670 4.1670 4.9151 4.9151 5.0811 5.0811 5.4606 5.4606 5.6149 5.6149 5.6940 5.6940 5.7933 5.7933 6.0261 6.0261 6.2271 6.2271 6.2781 6.2781 6.4336 6.4336 6.5701 6.5701 7.4092 7.4092 7.5365 7.5365 9.7702 9.7702 k =-0.5000 0.3541 0.7301 ( 3502 PWs) bands (ev): -2.1162 -2.1162 -2.0502 -2.0502 -1.4701 -1.4701 -1.3018 -1.3018 -1.2949 -1.2949 3.3418 3.3418 3.5408 3.5408 3.7091 3.7091 3.8968 3.8968 3.9669 3.9669 4.1632 4.1632 4.8868 4.8868 5.0582 5.0582 5.4608 5.4608 5.6038 5.6038 5.6299 5.6299 5.7422 5.7422 5.9751 5.9751 6.2009 6.2009 6.2225 6.2225 6.4130 6.4130 6.5227 6.5227 7.3045 7.3045 7.4578 7.4578 9.9583 9.9583 k =-0.5000 0.3541 0.7104 ( 3494 PWs) bands (ev): -2.1138 -2.1138 -2.0482 -2.0482 -1.4645 -1.4645 -1.3124 -1.3124 -1.2973 -1.2973 3.3211 3.3211 3.5468 3.5468 3.7222 3.7222 3.9044 3.9044 3.9776 3.9776 4.1589 4.1589 4.8573 4.8573 5.0278 5.0278 5.4598 5.4598 5.5556 5.5556 5.6024 5.6024 5.6856 5.6856 5.9203 5.9203 6.1589 6.1589 6.1907 6.1907 6.3933 6.3933 6.4808 6.4808 7.2068 7.2068 7.3874 7.3874 10.1510 10.1510 k =-0.5000 0.3541 0.6906 ( 3484 PWs) bands (ev): -2.1116 -2.1116 -2.0462 -2.0462 -1.4585 -1.4585 -1.3243 -1.3243 -1.2988 -1.2988 3.2981 3.2981 3.5522 3.5522 3.7362 3.7362 3.9121 3.9121 3.9886 3.9886 4.1542 4.1542 4.8267 4.8267 4.9885 4.9885 5.4512 5.4512 5.4999 5.4999 5.5826 5.5826 5.6307 5.6307 5.8658 5.8658 6.1121 6.1121 6.1710 6.1710 6.3729 6.3729 6.4439 6.4439 7.1163 7.1163 7.3247 7.3247 10.3479 10.3479 k =-0.5000 0.3541 0.6709 ( 3484 PWs) bands (ev): -2.1096 -2.1096 -2.0441 -2.0441 -1.4522 -1.4522 -1.3366 -1.3366 -1.3002 -1.3002 3.2727 3.2727 3.5567 3.5567 3.7509 3.7509 3.9199 3.9199 4.0000 4.0000 4.1489 4.1489 4.7954 4.7954 4.9394 4.9394 5.4089 5.4089 5.4778 5.4778 5.5360 5.5360 5.5978 5.5978 5.8163 5.8163 6.0685 6.0685 6.1538 6.1538 6.3506 6.3506 6.4127 6.4127 7.0330 7.0330 7.2692 7.2692 10.5485 10.5485 k =-0.5000 0.3541 0.6512 ( 3476 PWs) bands (ev): -2.1080 -2.1080 -2.0420 -2.0420 -1.4454 -1.4454 -1.3490 -1.3490 -1.3016 -1.3016 3.2452 3.2452 3.5599 3.5599 3.7662 3.7662 3.9276 3.9276 4.0116 4.0116 4.1432 4.1432 4.7636 4.7636 4.8810 4.8810 5.3463 5.3463 5.4700 5.4700 5.4756 5.4756 5.5792 5.5792 5.7753 5.7753 6.0284 6.0284 6.1378 6.1378 6.3254 6.3254 6.3876 6.3876 6.9567 6.9567 7.2201 7.2201 10.7524 10.7524 k =-0.5000 0.3541 0.6314 ( 3476 PWs) bands (ev): -2.1068 -2.1068 -2.0400 -2.0400 -1.4384 -1.4384 -1.3615 -1.3615 -1.3030 -1.3030 3.2155 3.2155 3.5613 3.5613 3.7820 3.7820 3.9351 3.9351 4.0233 4.0233 4.1372 4.1372 4.7316 4.7316 4.8152 4.8152 5.2787 5.2787 5.3988 5.3988 5.4763 5.4763 5.5625 5.5625 5.7452 5.7452 5.9913 5.9913 6.1226 6.1226 6.2982 6.2982 6.3675 6.3675 6.8869 6.8869 7.1764 7.1764 10.9589 10.9589 k =-0.5000 0.3541 0.6117 ( 3474 PWs) bands (ev): -2.1061 -2.1061 -2.0379 -2.0379 -1.4310 -1.4310 -1.3737 -1.3737 -1.3044 -1.3044 3.1840 3.1840 3.5604 3.5604 3.7980 3.7980 3.9422 3.9422 4.0349 4.0349 4.1308 4.1308 4.6988 4.6988 4.7449 4.7449 5.2081 5.2081 5.3238 5.3238 5.4781 5.4781 5.5474 5.5474 5.7253 5.7253 5.9570 5.9570 6.1078 6.1078 6.2706 6.2706 6.3506 6.3506 6.8234 6.8234 7.1375 7.1375 11.1673 11.1673 k =-0.5000 0.3541 0.5920 ( 3476 PWs) bands (ev): -2.1060 -2.1060 -2.0359 -2.0359 -1.4233 -1.4233 -1.3857 -1.3857 -1.3059 -1.3059 3.1506 3.1506 3.5566 3.5566 3.8139 3.8139 3.9487 3.9487 4.0460 4.0460 4.1243 4.1243 4.6589 4.6589 4.6794 4.6794 5.1355 5.1355 5.2462 5.2462 5.4806 5.4806 5.5353 5.5353 5.7135 5.7135 5.9255 5.9255 6.0931 6.0931 6.2438 6.2438 6.3357 6.3357 6.7654 6.7654 7.1026 7.1026 11.3764 11.3764 k =-0.5000 0.3541 0.5722 ( 3480 PWs) bands (ev): -2.1065 -2.1065 -2.0340 -2.0340 -1.4155 -1.4155 -1.3972 -1.3972 -1.3074 -1.3074 3.1158 3.1158 3.5491 3.5491 3.8294 3.8294 3.9544 3.9544 4.0565 4.0565 4.1178 4.1178 4.5921 4.5921 4.6409 4.6409 5.0621 5.0621 5.1671 5.1671 5.4835 5.4835 5.5271 5.5271 5.7073 5.7073 5.8967 5.8967 6.0781 6.0781 6.2186 6.2186 6.3220 6.3220 6.7125 6.7125 7.0711 7.0711 11.5834 11.5834 k =-0.5000 0.3541 0.5525 ( 3476 PWs) bands (ev): -2.1078 -2.1078 -2.0320 -2.0320 -1.4106 -1.4106 -1.4048 -1.4048 -1.3089 -1.3089 3.0796 3.0796 3.5370 3.5370 3.8440 3.8440 3.9592 3.9592 4.0656 4.0656 4.1119 4.1119 4.5212 4.5212 4.6089 4.6089 4.9890 4.9890 5.0883 5.0883 5.4865 5.4865 5.5228 5.5228 5.7049 5.7049 5.8706 5.8706 6.0628 6.0628 6.1954 6.1954 6.3091 6.3091 6.6641 6.6641 7.0423 7.0423 11.7815 11.7815 k =-0.5000 0.3541 0.5328 ( 3482 PWs) bands (ev): -2.1099 -2.1099 -2.0302 -2.0302 -1.4195 -1.4195 -1.3978 -1.3978 -1.3104 -1.3104 3.0423 3.0423 3.5197 3.5197 3.8572 3.8572 3.9628 3.9628 4.0720 4.0720 4.1074 4.1074 4.4537 4.4537 4.5778 4.5778 4.9175 4.9175 5.0117 5.0117 5.4892 5.4892 5.5223 5.5223 5.7050 5.7050 5.8470 5.8470 6.0470 6.0470 6.1744 6.1744 6.2968 6.2968 6.6198 6.6198 7.0160 7.0160 11.9230 11.9230 k =-0.5000 0.3541 0.5130 ( 3472 PWs) bands (ev): -2.1129 -2.1129 -2.0284 -2.0284 -1.4290 -1.4290 -1.3892 -1.3892 -1.3119 -1.3119 3.0043 3.0043 3.4964 3.4964 3.8682 3.8682 3.9651 3.9651 4.0739 4.0739 4.1058 4.1058 4.3917 4.3917 4.5471 4.5471 4.8487 4.8487 4.9392 4.9392 5.4915 5.4915 5.5254 5.5254 5.7068 5.7068 5.8260 5.8260 6.0305 6.0305 6.1556 6.1556 6.2849 6.2849 6.5791 6.5791 6.9916 6.9916 11.9286 11.9286 k =-0.5000 0.3541 0.4933 ( 3476 PWs) bands (ev): -2.1167 -2.1167 -2.0267 -2.0267 -1.4378 -1.4378 -1.3803 -1.3803 -1.3135 -1.3135 2.9656 2.9656 3.4666 3.4666 3.8760 3.8760 3.9658 3.9658 4.0707 4.0707 4.1072 4.1072 4.3363 4.3363 4.5168 4.5168 4.7835 4.7835 4.8727 4.8727 5.4932 5.4932 5.5313 5.5313 5.7095 5.7095 5.8077 5.8077 6.0135 6.0135 6.1390 6.1390 6.2735 6.2735 6.5416 6.5416 6.9690 6.9690 11.9206 11.9206 k =-0.5000 0.3541 0.4736 ( 3480 PWs) bands (ev): -2.1215 -2.1215 -2.0251 -2.0251 -1.4457 -1.4457 -1.3712 -1.3712 -1.3150 -1.3150 2.9267 2.9267 3.4304 3.4304 3.8796 3.8796 3.9638 3.9638 4.0644 4.0644 4.1094 4.1094 4.2884 4.2884 4.4876 4.4876 4.7233 4.7233 4.8134 4.8134 5.4946 5.4946 5.5394 5.5394 5.7124 5.7124 5.7919 5.7919 5.9961 5.9961 6.1245 6.1245 6.2626 6.2626 6.5072 6.5072 6.9478 6.9478 11.9083 11.9083 k =-0.5000 0.3541 0.4539 ( 3464 PWs) bands (ev): -2.1271 -2.1271 -2.0235 -2.0235 -1.4525 -1.4525 -1.3619 -1.3619 -1.3165 -1.3165 2.8877 2.8877 3.3881 3.3881 3.8780 3.8780 3.9575 3.9575 4.0575 4.0575 4.1098 4.1098 4.2483 4.2483 4.4603 4.4603 4.6694 4.6694 4.7622 4.7622 5.4960 5.4960 5.5491 5.5491 5.7148 5.7148 5.7791 5.7791 5.9786 5.9786 6.1117 6.1117 6.2523 6.2523 6.4756 6.4756 6.9280 6.9280 11.8931 11.8931 k =-0.5000 0.3541 0.4341 ( 3472 PWs) bands (ev): -2.1336 -2.1336 -2.0220 -2.0220 -1.4585 -1.4585 -1.3526 -1.3526 -1.3180 -1.3180 2.8488 2.8488 3.3405 3.3405 3.8702 3.8702 3.9449 3.9449 4.0517 4.0517 4.1065 4.1065 4.2169 4.2169 4.4363 4.4363 4.6232 4.6232 4.7191 4.7191 5.4974 5.4974 5.5601 5.5601 5.7156 5.7156 5.7694 5.7694 5.9612 5.9612 6.1005 6.1005 6.2426 6.2426 6.4465 6.4465 6.9093 6.9093 11.8758 11.8758 k =-0.5000 0.3541 0.4144 ( 3476 PWs) bands (ev): -2.1410 -2.1410 -2.0207 -2.0207 -1.4634 -1.4634 -1.3433 -1.3433 -1.3195 -1.3195 2.8103 2.8103 3.2887 3.2887 3.8553 3.8553 3.9248 3.9248 4.0475 4.0475 4.0979 4.0979 4.1951 4.1951 4.4166 4.4166 4.5857 4.5857 4.6835 4.6835 5.4989 5.4989 5.5719 5.5719 5.7141 5.7141 5.7633 5.7633 5.9441 5.9441 6.0907 6.0907 6.2336 6.2336 6.4200 6.4200 6.8916 6.8916 11.8570 11.8570 k =-0.5000 0.3541 0.3947 ( 3476 PWs) bands (ev): -2.1491 -2.1491 -2.0194 -2.0194 -1.4674 -1.4674 -1.3341 -1.3341 -1.3208 -1.3208 2.7723 2.7723 3.2337 3.2337 3.8328 3.8328 3.8978 3.8978 4.0439 4.0439 4.0842 4.0842 4.1834 4.1834 4.4020 4.4020 4.5571 4.5571 4.6548 4.6548 5.5006 5.5006 5.5842 5.5842 5.7101 5.7101 5.7602 5.7602 5.9278 5.9278 6.0820 6.0820 6.2256 6.2256 6.3959 6.3959 6.8749 6.8749 11.8372 11.8372 k =-0.5000 0.3541 0.3749 ( 3472 PWs) bands (ev): -2.1578 -2.1578 -2.0182 -2.0182 -1.4704 -1.4704 -1.3259 -1.3259 -1.3211 -1.3211 2.7351 2.7351 3.1769 3.1769 3.8026 3.8026 3.8652 3.8652 4.0389 4.0389 4.0684 4.0684 4.1799 4.1799 4.3926 4.3926 4.5366 4.5366 4.6324 4.6324 5.5024 5.5024 5.5968 5.5968 5.7042 5.7042 5.7592 5.7592 5.9123 5.9123 6.0743 6.0743 6.2187 6.2187 6.3740 6.3740 6.8590 6.8590 11.8168 11.8168 k =-0.5000 0.3541 0.3552 ( 3468 PWs) bands (ev): -2.1671 -2.1671 -2.0171 -2.0171 -1.4725 -1.4725 -1.3245 -1.3245 -1.3147 -1.3147 2.6988 2.6988 3.1192 3.1192 3.7657 3.7657 3.8284 3.8284 4.0298 4.0298 4.0554 4.0554 4.1820 4.1820 4.3876 4.3876 4.5228 4.5228 4.6157 4.6157 5.5045 5.5045 5.6093 5.6093 5.6971 5.6971 5.7591 5.7591 5.8978 5.8978 6.0674 6.0674 6.2132 6.2132 6.3542 6.3542 6.8439 6.8439 11.7961 11.7961 k =-0.5000 0.3541 0.3355 ( 3460 PWs) bands (ev): -2.1768 -2.1768 -2.0161 -2.0161 -1.4738 -1.4738 -1.3257 -1.3257 -1.3058 -1.3058 2.6636 2.6636 3.0616 3.0616 3.7236 3.7236 3.7886 3.7886 4.0153 4.0153 4.0481 4.0481 4.1877 4.1877 4.3861 4.3861 4.5139 4.5139 4.6046 4.6046 5.5069 5.5069 5.6215 5.6215 5.6894 5.6894 5.7591 5.7591 5.8845 5.8845 6.0613 6.0613 6.2091 6.2091 6.3365 6.3365 6.8296 6.8296 11.7754 11.7754 k =-0.5000 0.3541 0.3157 ( 3464 PWs) bands (ev): -2.1868 -2.1868 -2.0152 -2.0152 -1.4744 -1.4744 -1.3269 -1.3269 -1.2970 -1.2970 2.6296 2.6296 3.0049 3.0049 3.6783 3.6783 3.7472 3.7472 3.9986 3.9986 4.0441 4.0441 4.1955 4.1955 4.3867 4.3867 4.5082 4.5082 4.5991 4.5991 5.5095 5.5095 5.6326 5.6326 5.6816 5.6816 5.7588 5.7588 5.8724 5.8724 6.0559 6.0559 6.2065 6.2065 6.3208 6.3208 6.8161 6.8161 11.7549 11.7549 k =-0.5000 0.3541 0.2960 ( 3466 PWs) bands (ev): -2.1971 -2.1971 -2.0144 -2.0144 -1.4744 -1.4744 -1.3282 -1.3282 -1.2884 -1.2884 2.5969 2.5969 2.9497 2.9497 3.6313 3.6313 3.7052 3.7052 3.9818 3.9818 4.0416 4.0416 4.2045 4.2045 4.3883 4.3883 4.5047 4.5047 4.5988 4.5988 5.5123 5.5123 5.6414 5.6414 5.6747 5.6747 5.7582 5.7582 5.8617 5.8617 6.0509 6.0509 6.2055 6.2055 6.3068 6.3068 6.8032 6.8032 11.7349 11.7349 k =-0.5000 0.3541 0.2763 ( 3466 PWs) bands (ev): -2.2074 -2.2074 -2.0136 -2.0136 -1.4738 -1.4738 -1.3294 -1.3294 -1.2801 -1.2801 2.5657 2.5657 2.8964 2.8964 3.5840 3.5840 3.6635 3.6635 3.9656 3.9656 4.0399 4.0399 4.2140 4.2140 4.3899 4.3899 4.5031 4.5031 4.6031 4.6031 5.5155 5.5155 5.6449 5.6449 5.6712 5.6712 5.7572 5.7572 5.8525 5.8525 6.0465 6.0465 6.2060 6.2060 6.2946 6.2946 6.7911 6.7911 11.7156 11.7156 k =-0.5000 0.3541 0.2565 ( 3466 PWs) bands (ev): -2.2176 -2.2176 -2.0129 -2.0129 -1.4728 -1.4728 -1.3305 -1.3305 -1.2721 -1.2721 2.5361 2.5361 2.8457 2.8457 3.5375 3.5375 3.6229 3.6229 3.9503 3.9503 4.0387 4.0387 4.2237 4.2237 4.3908 4.3908 4.5033 4.5033 4.6110 4.6110 5.5189 5.5189 5.6405 5.6405 5.6735 5.6735 5.7560 5.7560 5.8452 5.8452 6.0426 6.0426 6.2079 6.2079 6.2840 6.2840 6.7797 6.7797 11.6971 11.6971 k =-0.5000 0.3541 0.2368 ( 3478 PWs) bands (ev): -2.2276 -2.2276 -2.0123 -2.0123 -1.4714 -1.4714 -1.3317 -1.3317 -1.2645 -1.2645 2.5082 2.5082 2.7977 2.7977 3.4925 3.4925 3.5840 3.5840 3.9358 3.9358 4.0378 4.0378 4.2331 4.2331 4.3906 4.3906 4.5054 4.5054 4.6217 4.6217 5.5225 5.5225 5.6317 5.6317 5.6778 5.6778 5.7544 5.7544 5.8399 5.8399 6.0390 6.0390 6.2107 6.2107 6.2750 6.2750 6.7691 6.7691 11.6795 11.6795 k =-0.5000 0.3541 0.2171 ( 3486 PWs) bands (ev): -2.2373 -2.2373 -2.0118 -2.0118 -1.4698 -1.4698 -1.3327 -1.3327 -1.2573 -1.2573 2.4822 2.4822 2.7527 2.7527 3.4498 3.4498 3.5473 3.5473 3.9224 3.9224 4.0371 4.0371 4.2421 4.2421 4.3891 4.3891 4.5092 4.5092 4.6342 4.6342 5.5263 5.5263 5.6213 5.6213 5.6811 5.6811 5.7527 5.7527 5.8370 5.8370 6.0358 6.0358 6.2142 6.2142 6.2676 6.2676 6.7591 6.7591 11.6628 11.6628 k =-0.5000 0.3541 0.1973 ( 3480 PWs) bands (ev): -2.2465 -2.2465 -2.0113 -2.0113 -1.4680 -1.4680 -1.3336 -1.3336 -1.2506 -1.2506 2.4580 2.4580 2.7111 2.7111 3.4097 3.4097 3.5131 3.5131 3.9100 3.9100 4.0366 4.0366 4.2506 4.2506 4.3866 4.3866 4.5144 4.5144 4.6478 4.6478 5.5303 5.5303 5.6104 5.6104 5.6821 5.6821 5.7511 5.7511 5.8364 5.8364 6.0329 6.0329 6.2179 6.2179 6.2619 6.2619 6.7499 6.7499 11.6390 11.6390 k =-0.5000 0.3541 0.1776 ( 3480 PWs) bands (ev): -2.2551 -2.2551 -2.0109 -2.0109 -1.4661 -1.4661 -1.3345 -1.3345 -1.2443 -1.2443 2.4359 2.4359 2.6730 2.6730 3.3726 3.3726 3.4817 3.4817 3.8987 3.8987 4.0361 4.0361 4.2584 4.2584 4.3835 4.3835 4.5205 4.5205 4.6619 4.6619 5.5341 5.5341 5.5997 5.5997 5.6807 5.6807 5.7498 5.7498 5.8379 5.8379 6.0303 6.0303 6.2211 6.2211 6.2582 6.2582 6.7415 6.7415 11.6123 11.6123 k =-0.5000 0.3541 0.1579 ( 3466 PWs) bands (ev): -2.2631 -2.2631 -2.0105 -2.0105 -1.4642 -1.4642 -1.3353 -1.3353 -1.2386 -1.2386 2.4158 2.4158 2.6385 2.6385 3.3389 3.3389 3.4532 3.4532 3.8884 3.8884 4.0358 4.0358 4.2655 4.2655 4.3800 4.3800 4.5270 4.5270 4.6759 4.6759 5.5377 5.5377 5.5897 5.5897 5.6769 5.6769 5.7490 5.7490 5.8409 5.8409 6.0281 6.0281 6.2232 6.2232 6.2566 6.2566 6.7339 6.7339 11.5880 11.5880 k =-0.5000 0.3541 0.1381 ( 3462 PWs) bands (ev): -2.2704 -2.2704 -2.0102 -2.0102 -1.4623 -1.4623 -1.3360 -1.3360 -1.2335 -1.2335 2.3979 2.3979 2.6079 2.6079 3.3087 3.3087 3.4279 3.4279 3.8793 3.8793 4.0354 4.0354 4.2719 4.2719 4.3765 4.3765 4.5335 4.5335 4.6895 4.6895 5.5405 5.5405 5.5812 5.5812 5.6713 5.6713 5.7487 5.7487 5.8449 5.8449 6.0261 6.0261 6.2238 6.2238 6.2573 6.2573 6.7271 6.7271 11.5663 11.5663 k =-0.5000 0.3541 0.1184 ( 3462 PWs) bands (ev): -2.2769 -2.2769 -2.0099 -2.0099 -1.4606 -1.4606 -1.3366 -1.3366 -1.2290 -1.2290 2.3823 2.3823 2.5811 2.5811 3.2822 3.2822 3.4058 3.4058 3.8714 3.8714 4.0351 4.0351 4.2775 4.2775 4.3730 4.3730 4.5398 4.5398 4.7023 4.7023 5.5415 5.5415 5.5752 5.5752 5.6645 5.6645 5.7489 5.7489 5.8493 5.8493 6.0244 6.0244 6.2233 6.2233 6.2595 6.2595 6.7212 6.7212 11.5472 11.5472 k =-0.5000 0.3541 0.0987 ( 3468 PWs) bands (ev): -2.2824 -2.2824 -2.0098 -2.0098 -1.4591 -1.4591 -1.3372 -1.3372 -1.2251 -1.2251 2.3689 2.3689 2.5583 2.5583 3.2596 3.2596 3.3870 3.3870 3.8646 3.8646 4.0348 4.0348 4.2822 4.2822 4.3699 4.3699 4.5454 4.5454 4.7137 4.7137 5.5400 5.5400 5.5730 5.5730 5.6571 5.6571 5.7492 5.7492 5.8537 5.8537 6.0229 6.0229 6.2223 6.2223 6.2625 6.2625 6.7161 6.7161 11.5310 11.5310 k =-0.5000 0.3541 0.0789 ( 3476 PWs) bands (ev): -2.2871 -2.2871 -2.0096 -2.0096 -1.4578 -1.4578 -1.3376 -1.3376 -1.2220 -1.2220 2.3579 2.3579 2.5395 2.5395 3.2410 3.2410 3.3716 3.3716 3.8590 3.8590 4.0346 4.0346 4.2861 4.2861 4.3672 4.3672 4.5503 4.5503 4.7236 4.7236 5.5365 5.5365 5.5739 5.5739 5.6496 5.6496 5.7497 5.7497 5.8577 5.8577 6.0218 6.0218 6.2210 6.2210 6.2655 6.2655 6.7119 6.7119 11.5175 11.5175 k =-0.5000 0.3541 0.0592 ( 3476 PWs) bands (ev): -2.2908 -2.2908 -2.0095 -2.0095 -1.4567 -1.4567 -1.3380 -1.3380 -1.2195 -1.2195 2.3493 2.3493 2.5249 2.5249 3.2264 3.2264 3.3595 3.3595 3.8546 3.8546 4.0344 4.0344 4.2892 4.2892 4.3650 4.3650 4.5543 4.5543 4.7316 4.7316 5.5324 5.5324 5.5766 5.5766 5.6427 5.6427 5.7501 5.7501 5.8611 5.8611 6.0209 6.0209 6.2199 6.2199 6.2683 6.2683 6.7086 6.7086 11.5070 11.5070 k =-0.5000 0.3541 0.0395 ( 3478 PWs) bands (ev): -2.2934 -2.2934 -2.0094 -2.0094 -1.4559 -1.4559 -1.3382 -1.3382 -1.2176 -1.2176 2.3432 2.3432 2.5144 2.5144 3.2160 3.2160 3.3509 3.3509 3.8514 3.8514 4.0343 4.0343 4.2914 4.2914 4.3633 4.3633 4.5572 4.5572 4.7375 4.7375 5.5289 5.5289 5.5797 5.5797 5.6368 5.6368 5.7505 5.7505 5.8636 5.8636 6.0203 6.0203 6.2191 6.2191 6.2704 6.2704 6.7062 6.7062 11.4995 11.4995 k =-0.5000 0.3541 0.0197 ( 3478 PWs) bands (ev): -2.2950 -2.2950 -2.0093 -2.0093 -1.4554 -1.4554 -1.3384 -1.3384 -1.2166 -1.2166 2.3395 2.3395 2.5081 2.5081 3.2097 3.2097 3.3457 3.3457 3.8496 3.8496 4.0342 4.0342 4.2928 4.2928 4.3623 4.3623 4.5589 4.5589 4.7411 4.7411 5.5266 5.5266 5.5822 5.5822 5.6328 5.6328 5.7507 5.7507 5.8652 5.8652 6.0199 6.0199 6.2186 6.2186 6.2717 6.2717 6.7048 6.7048 11.4950 11.4950 k =-0.5000 0.3541 0.0000 ( 3478 PWs) bands (ev): -2.2956 -2.2956 -2.0093 -2.0093 -1.4553 -1.4553 -1.3384 -1.3384 -1.2162 -1.2162 2.3382 2.3382 2.5060 2.5060 3.2076 3.2076 3.3440 3.3440 3.8489 3.8489 4.0341 4.0341 4.2932 4.2932 4.3620 4.3620 4.5595 4.5595 4.7424 4.7424 5.5259 5.5259 5.5831 5.5831 5.6313 5.6313 5.7508 5.7508 5.8657 5.8657 6.0198 6.0198 6.2184 6.2184 6.2722 6.2722 6.7043 6.7043 11.4934 11.4934 k = 0.0000 0.0000 0.9866 ( 3432 PWs) bands (ev): -2.1206 -2.1206 -2.0529 -2.0529 -1.4853 -1.4853 -1.2788 -1.2788 -1.2045 -1.2045 3.7503 3.7503 3.8335 3.8335 3.9541 3.9541 4.0523 4.0523 4.1264 4.1264 4.1803 4.1803 4.5319 4.5319 4.8000 4.8000 4.8965 4.8965 5.1432 5.1432 5.2739 5.2739 5.6830 5.6830 5.7068 5.7068 5.8056 5.8056 6.4358 6.4358 6.9442 6.9442 7.6661 7.6661 9.4571 9.4571 10.0396 10.0396 10.2566 10.2566 k =-0.0161 0.0114 0.9866 ( 3436 PWs) bands (ev): -2.1207 -2.1207 -2.0530 -2.0530 -1.4854 -1.4854 -1.2789 -1.2789 -1.2046 -1.2046 3.7499 3.7499 3.8331 3.8331 3.9515 3.9515 4.0509 4.0509 4.1263 4.1263 4.1794 4.1794 4.5323 4.5323 4.8032 4.8032 4.8995 4.8995 5.1445 5.1445 5.2749 5.2749 5.6831 5.6831 5.7085 5.7085 5.8061 5.8061 6.4360 6.4360 6.9449 6.9449 7.6656 7.6656 9.4577 9.4577 10.0390 10.0390 10.2406 10.2406 k =-0.0323 0.0228 0.9866 ( 3454 PWs) bands (ev): -2.1209 -2.1209 -2.0531 -2.0531 -1.4856 -1.4856 -1.2790 -1.2790 -1.2047 -1.2047 3.7487 3.7487 3.8317 3.8317 3.9440 3.9440 4.0469 4.0469 4.1261 4.1261 4.1765 4.1765 4.5337 4.5337 4.8125 4.8125 4.9083 4.9083 5.1484 5.1484 5.2780 5.2780 5.6838 5.6838 5.7132 5.7132 5.8076 5.8076 6.4366 6.4366 6.9471 6.9471 7.6639 7.6639 9.4593 9.4593 10.0367 10.0367 10.1964 10.1964 k =-0.0484 0.0343 0.9866 ( 3454 PWs) bands (ev): -2.1211 -2.1211 -2.0533 -2.0533 -1.4858 -1.4858 -1.2792 -1.2792 -1.2048 -1.2048 3.7466 3.7466 3.8292 3.8292 3.9320 3.9320 4.0409 4.0409 4.1255 4.1255 4.1720 4.1720 4.5362 4.5362 4.8270 4.8270 4.9229 4.9229 5.1552 5.1552 5.2830 5.2830 5.6856 5.6856 5.7202 5.7202 5.8103 5.8103 6.4377 6.4377 6.9507 6.9507 7.6611 7.6611 9.4619 9.4619 10.0301 10.0301 10.1339 10.1339 k =-0.0645 0.0457 0.9866 ( 3468 PWs) bands (ev): -2.1214 -2.1214 -2.0535 -2.0535 -1.4862 -1.4862 -1.2794 -1.2794 -1.2050 -1.2050 3.7435 3.7435 3.8258 3.8258 3.9161 3.9161 4.0334 4.0334 4.1240 4.1240 4.1660 4.1660 4.5402 4.5402 4.8452 4.8452 4.9432 4.9432 5.1648 5.1648 5.2902 5.2902 5.6890 5.6890 5.7289 5.7289 5.8143 5.8143 6.4392 6.4392 6.9558 6.9558 7.6571 7.6571 9.4655 9.4655 10.0036 10.0036 10.0762 10.0762 k =-0.0806 0.0571 0.9866 ( 3460 PWs) bands (ev): -2.1218 -2.1218 -2.0538 -2.0538 -1.4866 -1.4866 -1.2796 -1.2796 -1.2053 -1.2053 3.7392 3.7392 3.8211 3.8211 3.8972 3.8972 4.0251 4.0251 4.1213 4.1213 4.1589 4.1589 4.5460 4.5460 4.8657 4.8657 4.9688 4.9688 5.1775 5.1775 5.2994 5.2994 5.6942 5.6942 5.7386 5.7386 5.8197 5.8197 6.4411 6.4411 6.9622 6.9622 7.6518 7.6518 9.4697 9.4697 9.9319 9.9319 10.0540 10.0540 k =-0.0968 0.0685 0.9866 ( 3460 PWs) bands (ev): -2.1222 -2.1222 -2.0541 -2.0541 -1.4871 -1.4871 -1.2799 -1.2799 -1.2055 -1.2055 3.7337 3.7337 3.8152 3.8152 3.8758 3.8758 4.0168 4.0168 4.1170 4.1170 4.1513 4.1513 4.5536 4.5536 4.8873 4.8873 4.9992 4.9992 5.1936 5.1936 5.3110 5.3110 5.7014 5.7014 5.7490 5.7490 5.8267 5.8267 6.4436 6.4436 6.9701 6.9701 7.6450 7.6450 9.4744 9.4744 9.8398 9.8398 10.0462 10.0462 k =-0.1129 0.0799 0.9866 ( 3464 PWs) bands (ev): -2.1228 -2.1228 -2.0545 -2.0545 -1.4877 -1.4877 -1.2802 -1.2802 -1.2058 -1.2058 3.7267 3.7267 3.8080 3.8080 3.8526 3.8526 4.0089 4.0089 4.1106 4.1106 4.1441 4.1441 4.5632 4.5632 4.9089 4.9089 5.0333 5.0333 5.2131 5.2131 5.3250 5.3250 5.7104 5.7104 5.7598 5.7598 5.8356 5.8356 6.4465 6.4465 6.9793 6.9793 7.6368 7.6368 9.4788 9.4788 9.7423 9.7423 10.0397 10.0397 k =-0.1290 0.0914 0.9866 ( 3476 PWs) bands (ev): -2.1234 -2.1234 -2.0549 -2.0549 -1.4885 -1.4885 -1.2806 -1.2806 -1.2062 -1.2062 3.7181 3.7181 3.7996 3.7996 3.8283 3.8283 4.0017 4.0017 4.1021 4.1021 4.1378 4.1378 4.5749 4.5749 4.9299 4.9299 5.0700 5.0700 5.2362 5.2362 5.3418 5.3418 5.7211 5.7211 5.7710 5.7710 5.8464 5.8464 6.4500 6.4500 6.9898 6.9898 7.6268 7.6268 9.4814 9.4814 9.6448 9.6448 10.0288 10.0288 k =-0.1452 0.1028 0.9866 ( 3476 PWs) bands (ev): -2.1241 -2.1241 -2.0554 -2.0554 -1.4892 -1.4892 -1.2810 -1.2810 -1.2066 -1.2066 3.7079 3.7079 3.7897 3.7897 3.8039 3.8039 3.9951 3.9951 4.0914 4.0914 4.1328 4.1328 4.5887 4.5887 4.9498 4.9498 5.1079 5.1079 5.2627 5.2627 5.3618 5.3618 5.7334 5.7334 5.7828 5.7828 5.8590 5.8590 6.4541 6.4541 7.0017 7.0017 7.6148 7.6148 9.4743 9.4743 9.5568 9.5568 10.0011 10.0011 k =-0.1613 0.1142 0.9866 ( 3472 PWs) bands (ev): -2.1248 -2.1248 -2.0559 -2.0559 -1.4900 -1.4900 -1.2814 -1.2814 -1.2070 -1.2070 3.6962 3.6962 3.7739 3.7739 3.7843 3.7843 3.9890 3.9890 4.0792 4.0792 4.1292 4.1292 4.6045 4.6045 4.9684 4.9684 5.1456 5.1456 5.2922 5.2922 5.3857 5.3857 5.7469 5.7469 5.7957 5.7957 5.8732 5.8732 6.4588 6.4588 7.0147 7.0147 7.6007 7.6007 9.4201 9.4201 9.5163 9.5163 9.9380 9.9380 k =-0.1774 0.1256 0.9866 ( 3484 PWs) bands (ev): -2.1256 -2.1256 -2.0564 -2.0564 -1.4909 -1.4909 -1.2819 -1.2819 -1.2075 -1.2075 3.6829 3.6829 3.7501 3.7501 3.7724 3.7724 3.9830 3.9830 4.0659 4.0659 4.1269 4.1269 4.6226 4.6226 4.9855 4.9855 5.1818 5.1818 5.3240 5.3240 5.4140 5.4140 5.7613 5.7613 5.8105 5.8105 5.8887 5.8887 6.4642 6.4642 7.0291 7.0291 7.5842 7.5842 9.3320 9.3320 9.5101 9.5101 9.8532 9.8532 k =-0.1935 0.1371 0.9866 ( 3492 PWs) bands (ev): -2.1264 -2.1264 -2.0570 -2.0570 -1.4918 -1.4918 -1.2824 -1.2824 -1.2080 -1.2080 3.6684 3.6684 3.7253 3.7253 3.7616 3.7616 3.9767 3.9767 4.0520 4.0520 4.1260 4.1260 4.6427 4.6427 5.0012 5.0012 5.2155 5.2155 5.3575 5.3575 5.4471 5.4471 5.7762 5.7762 5.8280 5.8280 5.9051 5.9051 6.4702 6.4702 7.0447 7.0447 7.5649 7.5649 9.2413 9.2413 9.5060 9.5060 9.7640 9.7640 k =-0.2097 0.1485 0.9866 ( 3496 PWs) bands (ev): -2.1273 -2.1273 -2.0576 -2.0576 -1.4928 -1.4928 -1.2829 -1.2829 -1.2085 -1.2085 3.6528 3.6528 3.7011 3.7011 3.7510 3.7510 3.9700 3.9700 4.0379 4.0379 4.1264 4.1264 4.6648 4.6648 5.0155 5.0155 5.2460 5.2460 5.3916 5.3916 5.4848 5.4848 5.7915 5.7915 5.8489 5.8489 5.9222 5.9222 6.4770 6.4770 7.0616 7.0616 7.5425 7.5425 9.1535 9.1535 9.4958 9.4958 9.6777 9.6777 k =-0.2258 0.1599 0.9866 ( 3496 PWs) bands (ev): -2.1281 -2.1281 -2.0582 -2.0582 -1.4938 -1.4938 -1.2834 -1.2834 -1.2090 -1.2090 3.6363 3.6363 3.6777 3.6777 3.7405 3.7405 3.9626 3.9626 4.0237 4.0237 4.1280 4.1280 4.6890 4.6890 5.0286 5.0286 5.2731 5.2731 5.4258 5.4258 5.5264 5.5264 5.8075 5.8075 5.8734 5.8734 5.9397 5.9397 6.4845 6.4845 7.0798 7.0798 7.5168 7.5168 9.0702 9.0702 9.4712 9.4712 9.6019 9.6019 k =-0.2419 0.1713 0.9866 ( 3508 PWs) bands (ev): -2.1290 -2.1290 -2.0588 -2.0588 -1.4948 -1.4948 -1.2840 -1.2840 -1.2095 -1.2095 3.6192 3.6192 3.6555 3.6555 3.7302 3.7302 3.9545 3.9545 4.0098 4.0098 4.1308 4.1308 4.7150 4.7150 5.0407 5.0407 5.2971 5.2971 5.4591 5.4591 5.5706 5.5706 5.8247 5.8247 5.9016 5.9016 5.9575 5.9575 6.4929 6.4929 7.0995 7.0995 7.4875 7.4875 8.9924 8.9924 9.4214 9.4214 9.5450 9.5450 k =-0.2581 0.1827 0.9866 ( 3500 PWs) bands (ev): -2.1299 -2.1299 -2.0594 -2.0594 -1.4957 -1.4957 -1.2845 -1.2845 -1.2100 -1.2100 3.6017 3.6017 3.6346 3.6346 3.7201 3.7201 3.9458 3.9458 3.9962 3.9962 4.1344 4.1344 4.7427 4.7427 5.0518 5.0518 5.3184 5.3184 5.4906 5.4906 5.6162 5.6162 5.8434 5.8434 5.9336 5.9336 5.9756 5.9756 6.5020 6.5020 7.1205 7.1205 7.4543 7.4543 8.9210 8.9210 9.3505 9.3505 9.5000 9.5000 k =-0.2742 0.1942 0.9866 ( 3500 PWs) bands (ev): -2.1308 -2.1308 -2.0600 -2.0600 -1.4967 -1.4967 -1.2850 -1.2850 -1.2105 -1.2105 3.5840 3.5840 3.6153 3.6153 3.7103 3.7103 3.9366 3.9366 3.9833 3.9833 4.1386 4.1386 4.7719 4.7719 5.0620 5.0620 5.3373 5.3373 5.5194 5.5194 5.6623 5.6623 5.8638 5.8638 5.9685 5.9685 5.9945 5.9945 6.5119 6.5119 7.1433 7.1433 7.4171 7.4171 8.8563 8.8563 9.2719 9.2719 9.4503 9.4503 k =-0.2903 0.2056 0.9866 ( 3508 PWs) bands (ev): -2.1317 -2.1317 -2.0606 -2.0606 -1.4977 -1.4977 -1.2855 -1.2855 -1.2110 -1.2110 3.5665 3.5665 3.5975 3.5975 3.7008 3.7008 3.9270 3.9270 3.9710 3.9710 4.1432 4.1432 4.8022 4.8022 5.0715 5.0715 5.3543 5.3543 5.5450 5.5450 5.7081 5.7081 5.8861 5.8861 6.0016 6.0016 6.0186 6.0186 6.5227 6.5227 7.1677 7.1677 7.3760 7.3760 8.7990 8.7990 9.1924 9.1924 9.3873 9.3873 k =-0.3065 0.2170 0.9866 ( 3512 PWs) bands (ev): -2.1325 -2.1325 -2.0612 -2.0612 -1.4986 -1.4986 -1.2860 -1.2860 -1.2115 -1.2115 3.5494 3.5494 3.5811 3.5811 3.6917 3.6917 3.9172 3.9172 3.9596 3.9596 4.1481 4.1481 4.8334 4.8334 5.0803 5.0803 5.3697 5.3697 5.5669 5.5669 5.7528 5.7528 5.9101 5.9101 6.0236 6.0236 6.0565 6.0565 6.5343 6.5343 7.1941 7.1941 7.3313 7.3313 8.7493 8.7493 9.1144 9.1144 9.3094 9.3094 k =-0.3226 0.2284 0.9866 ( 3508 PWs) bands (ev): -2.1333 -2.1333 -2.0617 -2.0617 -1.4995 -1.4995 -1.2865 -1.2865 -1.2120 -1.2120 3.5331 3.5331 3.5660 3.5660 3.6831 3.6831 3.9073 3.9073 3.9492 3.9492 4.1530 4.1530 4.8650 4.8650 5.0884 5.0884 5.3835 5.3835 5.5853 5.5853 5.7957 5.7957 5.9359 5.9359 6.0415 6.0415 6.1004 6.1004 6.5467 6.5467 7.2219 7.2219 7.2840 7.2840 8.7072 8.7072 9.0392 9.0392 9.2194 9.2194 k =-0.3387 0.2398 0.9866 ( 3504 PWs) bands (ev): -2.1341 -2.1341 -2.0622 -2.0622 -1.5004 -1.5004 -1.2869 -1.2869 -1.2124 -1.2124 3.5177 3.5177 3.5523 3.5523 3.6749 3.6749 3.8977 3.8977 3.9396 3.9396 4.1578 4.1578 4.8965 4.8965 5.0960 5.0960 5.3961 5.3961 5.6004 5.6004 5.8358 5.8358 5.9637 5.9637 6.0583 6.0583 6.1459 6.1459 6.5599 6.5599 7.2266 7.2266 7.2596 7.2596 8.6726 8.6726 8.9672 8.9672 9.1219 9.1219 k =-0.3548 0.2513 0.9866 ( 3512 PWs) bands (ev): -2.1348 -2.1348 -2.0627 -2.0627 -1.5012 -1.5012 -1.2874 -1.2874 -1.2129 -1.2129 3.5035 3.5035 3.5398 3.5398 3.6674 3.6674 3.8884 3.8884 3.9310 3.9310 4.1624 4.1624 4.9274 4.9274 5.1031 5.1031 5.4074 5.4074 5.6127 5.6127 5.8718 5.8718 5.9938 5.9938 6.0745 6.0745 6.1913 6.1913 6.5737 6.5737 7.1763 7.1763 7.2908 7.2908 8.6451 8.6451 8.8983 8.8983 9.0217 9.0217 k =-0.3710 0.2627 0.9866 ( 3504 PWs) bands (ev): -2.1355 -2.1355 -2.0631 -2.0631 -1.5019 -1.5019 -1.2877 -1.2877 -1.2132 -1.2132 3.4906 3.4906 3.5286 3.5286 3.6605 3.6605 3.8796 3.8796 3.9232 3.9232 4.1666 4.1666 4.9571 4.9571 5.1097 5.1097 5.4175 5.4175 5.6226 5.6226 5.9031 5.9031 6.0262 6.0262 6.0901 6.0901 6.2352 6.2352 6.5880 6.5880 7.1221 7.1221 7.3276 7.3276 8.6238 8.6238 8.8313 8.8313 8.9246 8.9246 k =-0.3871 0.2741 0.9866 ( 3514 PWs) bands (ev): -2.1361 -2.1361 -2.0636 -2.0636 -1.5026 -1.5026 -1.2881 -1.2881 -1.2136 -1.2136 3.4790 3.4790 3.5187 3.5187 3.6542 3.6542 3.8716 3.8716 3.9165 3.9165 4.1705 4.1705 4.9849 4.9849 5.1160 5.1160 5.4265 5.4265 5.6306 5.6306 5.9293 5.9293 6.0601 6.0601 6.1051 6.1051 6.2764 6.2764 6.6026 6.6026 7.0674 7.0674 7.3679 7.3679 8.6057 8.6057 8.7635 8.7635 8.8388 8.8388 k =-0.4032 0.2855 0.9866 ( 3514 PWs) bands (ev): -2.1367 -2.1367 -2.0639 -2.0639 -1.5032 -1.5032 -1.2885 -1.2885 -1.2139 -1.2139 3.4688 3.4688 3.5100 3.5100 3.6487 3.6487 3.8644 3.8644 3.9106 3.9106 4.1740 4.1740 5.0102 5.0102 5.1219 5.1219 5.4344 5.4344 5.6370 5.6370 5.9508 5.9508 6.0935 6.0935 6.1205 6.1205 6.3138 6.3138 6.6171 6.6171 7.0136 7.0136 7.4111 7.4111 8.5819 8.5819 8.6989 8.6989 8.7718 8.7718 k =-0.4194 0.2970 0.9866 ( 3502 PWs) bands (ev): -2.1371 -2.1371 -2.0642 -2.0642 -1.5037 -1.5037 -1.2887 -1.2887 -1.2142 -1.2142 3.4602 3.4602 3.5027 3.5027 3.6440 3.6440 3.8581 3.8581 3.9056 3.9056 4.1770 4.1770 5.0323 5.0323 5.1275 5.1275 5.4411 5.4411 5.6420 5.6420 5.9682 5.9682 6.1199 6.1199 6.1407 6.1407 6.3467 6.3467 6.6313 6.6313 6.9621 6.9621 7.4565 7.4565 8.5322 8.5322 8.6619 8.6619 8.7215 8.7215 k =-0.4355 0.3084 0.9866 ( 3506 PWs) bands (ev): -2.1375 -2.1375 -2.0645 -2.0645 -1.5041 -1.5041 -1.2889 -1.2889 -1.2144 -1.2144 3.4531 3.4531 3.4966 3.4966 3.6401 3.6401 3.8529 3.8529 3.9015 3.9015 4.1795 4.1795 5.0505 5.0505 5.1328 5.1328 5.4467 5.4467 5.6459 5.6459 5.9819 5.9819 6.1346 6.1346 6.1687 6.1687 6.3744 6.3744 6.6445 6.6445 6.9146 6.9146 7.5028 7.5028 8.4606 8.4606 8.6546 8.6546 8.6842 8.6842 k =-0.4516 0.3198 0.9866 ( 3498 PWs) bands (ev): -2.1378 -2.1378 -2.0647 -2.0647 -1.5044 -1.5044 -1.2891 -1.2891 -1.2145 -1.2145 3.4475 3.4475 3.4919 3.4919 3.6370 3.6370 3.8487 3.8487 3.8983 3.8983 4.1814 4.1814 5.0645 5.0645 5.1377 5.1377 5.4511 5.4511 5.6488 5.6488 5.9923 5.9923 6.1441 6.1441 6.1959 6.1959 6.3966 6.3966 6.6561 6.6561 6.8730 6.8730 7.5475 7.5475 8.3886 8.3886 8.6463 8.6463 8.6718 8.6718 k =-0.4677 0.3312 0.9866 ( 3498 PWs) bands (ev): -2.1380 -2.1380 -2.0648 -2.0648 -1.5047 -1.5047 -1.2892 -1.2892 -1.2147 -1.2147 3.4435 3.4435 3.4885 3.4885 3.6348 3.6348 3.8457 3.8457 3.8961 3.8961 4.1828 4.1828 5.0743 5.0743 5.1418 5.1418 5.4544 5.4544 5.6508 5.6508 5.9997 5.9997 6.1507 6.1507 6.2179 6.2179 6.4129 6.4129 6.6656 6.6656 6.8397 6.8397 7.5864 7.5864 8.3279 8.3279 8.6276 8.6276 8.6849 8.6849 k =-0.4839 0.3426 0.9866 ( 3502 PWs) bands (ev): -2.1382 -2.1382 -2.0649 -2.0649 -1.5048 -1.5048 -1.2893 -1.2893 -1.2148 -1.2148 3.4411 3.4411 3.4865 3.4865 3.6335 3.6335 3.8439 3.8439 3.8947 3.8947 4.1837 4.1837 5.0800 5.0800 5.1446 5.1446 5.4563 5.4563 5.6520 5.6520 6.0040 6.0040 6.1546 6.1546 6.2321 6.2321 6.4230 6.4230 6.6721 6.6721 6.8178 6.8178 7.6139 7.6139 8.2867 8.2867 8.6153 8.6153 8.7003 8.7003 k =-0.5000 0.3541 0.9866 ( 3496 PWs) bands (ev): -2.1382 -2.1382 -2.0649 -2.0649 -1.5048 -1.5048 -1.2893 -1.2893 -1.2148 -1.2148 3.4403 3.4403 3.4858 3.4858 3.6330 3.6330 3.8433 3.8433 3.8943 3.8943 4.1839 4.1839 5.0818 5.0818 5.1456 5.1456 5.4570 5.4570 5.6523 5.6523 6.0055 6.0055 6.1559 6.1559 6.2371 6.2371 6.4264 6.4264 6.6745 6.6745 6.8100 6.8100 7.6239 7.6239 8.2720 8.2720 8.6111 8.6111 8.7074 8.7074 Writing output data file CdPt3.save init_run : 0.53s CPU 0.77s WALL ( 1 calls) electrons : 221.26s CPU 225.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 221.25s CPU 225.88s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.15s CPU 0.25s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 400 calls) cegterg : 205.50s CPU 208.25s WALL ( 768 calls) Called by sum_band: Called by *egterg: h_psi : 118.80s CPU 121.16s WALL ( 11915 calls) s_psi : 7.42s CPU 7.60s WALL ( 11915 calls) g_psi : 0.34s CPU 0.30s WALL ( 10747 calls) cdiaghg : 71.60s CPU 71.59s WALL ( 11147 calls) cegterg:over : 7.26s CPU 7.49s WALL ( 10747 calls) cegterg:upda : 5.70s CPU 6.11s WALL ( 10747 calls) cegterg:last : 3.34s CPU 3.54s WALL ( 1968 calls) cdiaghg:chol : 4.18s CPU 3.96s WALL ( 11147 calls) cdiaghg:inve : 2.58s CPU 2.64s WALL ( 11147 calls) cdiaghg:para : 3.89s CPU 4.00s WALL ( 22294 calls) Called by h_psi: h_psi:vloc : 101.98s CPU 104.00s WALL ( 11915 calls) h_psi:vnl : 16.57s CPU 16.87s WALL ( 11915 calls) add_vuspsi : 8.55s CPU 8.70s WALL ( 11915 calls) General routines calbec : 7.99s CPU 8.14s WALL ( 11915 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 87.92s CPU 90.10s WALL ( 1201132 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.40s WALL ( 800 calls) Parallel routines fft_scatter : 34.26s CPU 35.14s WALL ( 1201155 calls) PWSCF : 3m58.37s CPU 4m29.77s WALL This run was terminated on: 16:58:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=